chempirical

Urb597

C20H22N2O3CAS 546141-08-6338.41 g/mol

Open in Covalent MOL file
H2NOOONH

Properties

Molecular formula
C20H22N2O3
Molar mass
338.41 g/mol
Exact mass
338.1630 Da
logP
4.86Crippen estimate
Polar surface area
85.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
546141-08-6
SMILES
N=C(O)c1cccc(-c2cccc(OC(O)=NC3CCCCC3)c2)c1
InChIKey
ROFVXGGUISEHAM-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)

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Names and synonyms

9 names
  • Carbamic acid, N-cyclohexyl-, 3′-(aminocarbonyl)[1,1′-biphenyl]-3-yl ester
  • Carbamic acid, cyclohexyl-, 3′-(aminocarbonyl)[1,1′-biphenyl]-3-yl ester
  • 3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate
  • URB 597
  • KDS 4103
  • Org 231295
  • [3-(3-Carbamoylphenyl)phenyl] N-cyclohexylcarbamate
  • 3′-Carbamoyl-[1,1′-biphenyl]-3-yl cyclohexylcarbamate
  • Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester

Work with Urb597

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

3-Ethoxybenzamide55836-69-642 % similar 3-Methoxybenzamide5813-86-541 % similar 1,3-Benzenedicarboxamide1740-57-440 % similar 3-Bromobenzamide22726-00-736 % similar 3-Fluorobenzamide455-37-836 % similar 3-Chlorobenzamide618-48-436 % similar 3-Aminobenzamide3544-24-935 % similar 3-Methylbenzamide618-47-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Picrinine4684-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia