2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide

C29H33N3O2 — CID 70010240

IUPAC2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide
SMILESNC(=O)c1ccccc1N(C(=O)CCCN1CCCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O2/c30-29(34)26-16-7-8-17-27(26)32(25-14-5-2-6-15-25)28(33)18-10-21-31-20-9-13-24(19-22-31)23-11-3-1-4-12-23/h1-8,11-12,14-17,24H,9-10,13,18-22H2,(H2,30,34)
InChIKeyANFJJXGCXYDSPD-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.50
Rot. Bonds8

About 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide

2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide (PubChem CID 70010240) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide.

Molecular Properties

Compound Name2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide
PubChem CID70010240
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide
SMILESNC(=O)c1ccccc1N(C(=O)CCCN1CCCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O2/c30-29(34)26-16-7-8-17-27(26)32(25-14-5-2-6-15-25)28(33)18-10-21-31-20-9-13-24(19-22-31)23-11-3-1-4-12-23/h1-8,11-12,14-17,24H,9-10,13,18-22H2,(H2,30,34)
InChIKeyANFJJXGCXYDSPD-UHFFFAOYSA-N
XLogP5.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide 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

N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 159064661
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
1-[2-(4-phenylazepan-1-yl)ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 171321226
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
4-methyl-5-(4-phenylazepan-1-yl)-1,2,4-triazole-3-carboxamide
CID 167811448
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
CID 86744370
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 95176586
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide?
The IUPAC name of 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide (CID 70010240) is 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide.
What is the SMILES notation for 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide?
The canonical SMILES for 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide is NC(=O)c1ccccc1N(C(=O)CCCN1CCCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide?
The InChIKey is ANFJJXGCXYDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c30-29(34)26-16-7-8-17-27(26)32(25-14-5-2-6-15-25)28(33)18-10-21-31-20-9-13-24(19-22-31)23-11-3-1-4-12-23/h1-8,11-12,14-17,24H,9-10,13,18-22H2,(H2,30,34).
What are the key properties of 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide?
2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide is sourced from PubChem (CID 70010240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).