4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C29H32N4O3 — CID 54838199

IUPAC4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-32(26-9-5-4-6-10-26)28(35)22-11-15-24(16-12-22)30-21-27(34)31-25-17-13-23(14-18-25)29(36)33-19-7-2-3-8-20-33/h4-6,9-18,30H,2-3,7-8,19-21H2,1H3,(H,31,34)
InChIKeyCOZYFPKWYPKPOL-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.03
Rot. Bonds7

About 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54838199) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54838199
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-32(26-9-5-4-6-10-26)28(35)22-11-15-24(16-12-22)30-21-27(34)31-25-17-13-23(14-18-25)29(36)33-19-7-2-3-8-20-33/h4-6,9-18,30H,2-3,7-8,19-21H2,1H3,(H,31,34)
InChIKeyCOZYFPKWYPKPOL-UHFFFAOYSA-N
XLogP5.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838444
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54838199) is 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is COZYFPKWYPKPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-32(26-9-5-4-6-10-26)28(35)22-11-15-24(16-12-22)30-21-27(34)31-25-17-13-23(14-18-25)29(36)33-19-7-2-3-8-20-33/h4-6,9-18,30H,2-3,7-8,19-21H2,1H3,(H,31,34).
What are the key properties of 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 484.60 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54838199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).