chempirical

Ehida

C16H22N2O5CAS 63245-28-3322.36 g/mol

Open in Covalent MOL file
NHONOHOOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C16H22N2O5
Molar mass
322.36 g/mol
Exact mass
322.1529 Da
Melting point
190–194 °C
logP
1.87Crippen estimate
Polar surface area
110.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
9

Identifiers

CAS number
63245-28-3
SMILES
CCc1cccc(CC)c1N=C(O)CN(CC(=O)O)CC(=O)O
InChIKey
WNIDXAKKFOKNEF-UHFFFAOYSA-N
InChI
InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)

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Names and synonyms

5 names
  • Glycine, N-(carboxymethyl)-N-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-
  • N-(Carboxymethyl)-N-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]glycine
  • N-(2,6-Diethylacetanilide)iminodiacetic acid
  • Etifenin
  • Diethyl-HIDA

Work with Ehida

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-Chloro-N-(2,6-diethylphenyl)acetamide6967-29-955 % similar Lidocaine137-58-646 % similar Lidocaine hydrochloride73-78-943 % similar Nitrilotriacetic acid139-13-942 % similar N-(Carboxymethyl)-N-(phenylmethyl)glycine3987-53-941 % similar Lidocaine hydrochloride monohydrate6108-05-040 % similar 4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine5294-61-140 % similar Nefiracetam77191-36-737 % similar

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

Same formula

1,5-Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-8 Serotonin adipate16031-83-7 N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-1 N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester61038-96-8

Elsewhere

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