(2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

C26H24N4O3 — CID 23554370

IUPAC(2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
SMILESC[C@H](N)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C26H24N4O3/c1-17(27)25(32)29-24-26(33)30(16-22(31)18-10-4-2-5-11-18)21-15-9-8-14-20(21)23(28-24)19-12-6-3-7-13-19/h2-15,17,24H,16,27H2,1H3,(H,29,32)/t17-,24?/m0/s1
InChIKeyVNBQSXILMTWOAW-KEJDIYNNSA-N
MW440.50 g/mol
LogP2.54
Rot. Bonds6

About (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

(2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide (PubChem CID 23554370) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
PubChem CID23554370
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
SMILESC[C@H](N)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C26H24N4O3/c1-17(27)25(32)29-24-26(33)30(16-22(31)18-10-4-2-5-11-18)21-15-9-8-14-20(21)23(28-24)19-12-6-3-7-13-19/h2-15,17,24H,16,27H2,1H3,(H,29,32)/t17-,24?/m0/s1
InChIKeyVNBQSXILMTWOAW-KEJDIYNNSA-N
XLogP2.54
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide (CID 23554370) is (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide is C[C@H](N)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide?
The InChIKey is VNBQSXILMTWOAW-KEJDIYNNSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17(27)25(32)29-24-26(33)30(16-22(31)18-10-4-2-5-11-18)21-15-9-8-14-20(21)23(28-24)19-12-6-3-7-13-19/h2-15,17,24H,16,27H2,1H3,(H,29,32)/t17-,24?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide?
(2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide has a molecular weight of 440.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-oxo-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide is sourced from PubChem (CID 23554370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).