N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

C32H29N3O3 — CID 70062128

About N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 70062128) has the molecular formula C32H29N3O3 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
• PubChem CID: 70062128
• Molecular Formula: C32H29N3O3
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.22
• IUPAC Name: N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
• SMILES: Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NC(=O)c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C32H29N3O3/c1-22-10-5-6-13-26(22)31(37)33-25-19-17-24(18-20-25)32(38)35-21-9-15-28(27-14-7-8-16-29(27)35)34-30(36)23-11-3-2-4-12-23/h2-8,10-14,16-20,28H,9,15,21H2,1H3,(H,33,37)(H,34,36)
• InChIKey: FVXMFPMPTIKEQM-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?

The IUPAC name of N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (CID 70062128) is N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.

What is the SMILES notation for N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?

The canonical SMILES for N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NC(=O)c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?

The InChIKey is FVXMFPMPTIKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3/c1-22-10-5-6-13-26(22)31(37)33-25-19-17-24(18-20-25)32(38)35-21-9-15-28(27-14-7-8-16-29(27)35)34-30(36)23-11-3-2-4-12-23/h2-8,10-14,16-20,28H,9,15,21H2,1H3,(H,33,37)(H,34,36).

What are the key properties of N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?

N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 503.60 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 70062128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).