N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide

C34H32N4O3 — CID 10209246

About N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide

N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide (PubChem CID 10209246) has the molecular formula C34H32N4O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide
• PubChem CID: 10209246
• Molecular Formula: C34H32N4O3
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.25
• IUPAC Name: N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide
• SMILES: C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O
• InChI: InChI=1S/C34H32N4O3/c1-23(35-30(39)22-28(24-14-6-3-7-15-24)25-16-8-4-9-17-25)33(40)37-32-34(41)38(2)29-21-13-12-20-27(29)31(36-32)26-18-10-5-11-19-26/h3-21,23,28,32H,22H2,1-2H3,(H,35,39)(H,37,40)/t23-,32?/m0/s1
• InChIKey: BNISKRCTBMAZQM-SZGIACGNSA-N
• XLogP: 4.67
• TPSA: 90.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide?

The IUPAC name of N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide (CID 10209246) is N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide.

What is the SMILES notation for N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide?

The canonical SMILES for N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide is C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O.

What is the InChIKey of N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide?

The InChIKey is BNISKRCTBMAZQM-SZGIACGNSA-N. The full InChI is InChI=1S/C34H32N4O3/c1-23(35-30(39)22-28(24-14-6-3-7-15-24)25-16-8-4-9-17-25)33(40)37-32-34(41)38(2)29-21-13-12-20-27(29)31(36-32)26-18-10-5-11-19-26/h3-21,23,28,32H,22H2,1-2H3,(H,35,39)(H,37,40)/t23-,32?/m0/s1.

What are the key properties of N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide?

N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 544.66 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 10209246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).