N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide

C23H29N3O2 — CID 54814565

IUPACN-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C23H29N3O2/c27-22(14-13-19-9-4-3-5-10-19)24-20-11-8-12-21(17-20)25-23(28)18-26-15-6-1-2-7-16-26/h3-5,8-12,17H,1-2,6-7,13-16,18H2,(H,24,27)(H,25,28)
InChIKeyJWZUXWZDYGTNGF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.07
Rot. Bonds7

About N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54814565) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54814565
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C23H29N3O2/c27-22(14-13-19-9-4-3-5-10-19)24-20-11-8-12-21(17-20)25-23(28)18-26-15-6-1-2-7-16-26/h3-5,8-12,17H,1-2,6-7,13-16,18H2,(H,24,27)(H,25,28)
InChIKeyJWZUXWZDYGTNGF-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide 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-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119870392
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54814565) is N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCCCCC2)c1.
What is the InChIKey of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is JWZUXWZDYGTNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(14-13-19-9-4-3-5-10-19)24-20-11-8-12-21(17-20)25-23(28)18-26-15-6-1-2-7-16-26/h3-5,8-12,17H,1-2,6-7,13-16,18H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54814565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).