N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide

C29H32N4O3 — CID 54841798

IUPACN-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)CNc3cccc(C(=O)N4CCCCCC4)c3)cc2)c1
InChIInChI=1S/C29H32N4O3/c1-21-8-6-9-22(18-21)28(35)32-25-14-12-24(13-15-25)31-27(34)20-30-26-11-7-10-23(19-26)29(36)33-16-4-2-3-5-17-33/h6-15,18-19,30H,2-5,16-17,20H2,1H3,(H,31,34)(H,32,35)
InChIKeyWWNXPORQVCRVBR-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.31
Rot. Bonds7

About N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide

N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide (PubChem CID 54841798) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
PubChem CID54841798
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)CNc3cccc(C(=O)N4CCCCCC4)c3)cc2)c1
InChIInChI=1S/C29H32N4O3/c1-21-8-6-9-22(18-21)28(35)32-25-14-12-24(13-15-25)31-27(34)20-30-26-11-7-10-23(19-26)29(36)33-16-4-2-3-5-17-33/h6-15,18-19,30H,2-5,16-17,20H2,1H3,(H,31,34)(H,32,35)
InChIKeyWWNXPORQVCRVBR-UHFFFAOYSA-N
XLogP5.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide 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

3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide (CID 54841798) is N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)CNc3cccc(C(=O)N4CCCCCC4)c3)cc2)c1.
What is the InChIKey of N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The InChIKey is WWNXPORQVCRVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-21-8-6-9-22(18-21)28(35)32-25-14-12-24(13-15-25)31-27(34)20-30-26-11-7-10-23(19-26)29(36)33-16-4-2-3-5-17-33/h6-15,18-19,30H,2-5,16-17,20H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide has a molecular weight of 484.60 g/mol, XLogP of 5.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 54841798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).