phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate

C23H21N3O4 — CID 126007670

IUPACphenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate
SMILESNC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c24-21(27)15-20(26-23(29)30-19-9-5-2-6-10-19)22(28)25-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,20H,15H2,(H2,24,27)(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyGHPWERHUPSOSIU-FQEVSTJZSA-N
MW403.44 g/mol
LogP3.32
Rot. Bonds7

About phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate

phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate (PubChem CID 126007670) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate
PubChem CID126007670
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namephenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate
SMILESNC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c24-21(27)15-20(26-23(29)30-19-9-5-2-6-10-19)22(28)25-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,20H,15H2,(H2,24,27)(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyGHPWERHUPSOSIU-FQEVSTJZSA-N
XLogP3.32
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
CID 126004333
phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 41329856
phenyl N-[(2R)-4-amino-1-(2-methoxy-5-methylanilino)-1,4-dioxobutan-2-yl]carbamate
CID 126008822
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
(3S)-4-anilino-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 10854772
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-amino-4-oxo-2-(phenoxycarbonylamino)butanoate
CID 126006555
(2S)-N-methyl-2-[[2-(3-phenylphenoxy)acetyl]amino]butanediamide
CID 58709545
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate (CID 126007670) is phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate is NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate?
The InChIKey is GHPWERHUPSOSIU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21N3O4/c24-21(27)15-20(26-23(29)30-19-9-5-2-6-10-19)22(28)25-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,20H,15H2,(H2,24,27)(H,25,28)(H,26,29)/t20-/m0/s1.
What are the key properties of phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate?
phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate has a molecular weight of 403.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate is sourced from PubChem (CID 126007670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).