4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone

C15H22N2O3CAS 29925-17-5278.35 g/mol

Open in Covalent MOL file
ONHOHNO
Ether

Properties

Molecular formula
C15H22N2O3
Molar mass
278.35 g/mol
Exact mass
278.1630 Da
logP
2.30Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
29925-17-5
SMILES
CCCCOc1cc(CC2CN=C(O)N2)ccc1OC
InChIKey
PDMUULPVBYQBBK-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)

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Names and synonyms

10 names
  • 4-[(3-Butoxy-4-methoxyphenyl)methyl]-2-imidazolidinone
  • 2-Imidazolidinone, 4-[(3-butoxy-4-methoxyphenyl)methyl]-
  • 2-Imidazolidinone, 4-(3-butoxy-4-methoxybenzyl)-
  • 4-(3-Butoxy-4-methoxy benzyl)-2-imidazolidinone
  • Ro 20-1724
  • Ro 20-174
  • 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidone
  • Roche 20-1724
  • DL-4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone
  • R 020-1724

Work with 4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene172900-69-544 % similar 4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene324763-39-543 % similar Phyllanthin10351-88-940 % similar Vanillyl butyl ether82654-98-638 % similar Nonivamide2444-46-438 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-138 % similar (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-438 % similar 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Leucylphenylalanine56217-82-4 2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamide91374-22-0

Elsewhere

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