N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide

C23H29N3O2 — CID 54815077

IUPACN-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
SMILESCC(NCC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18(19-10-5-4-6-11-19)24-17-22(27)25-21-13-9-12-20(16-21)23(28)26-14-7-2-3-8-15-26/h4-6,9-13,16,18,24H,2-3,7-8,14-15,17H2,1H3,(H,25,27)
InChIKeyHXNOGSAWKHMTTN-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.99
Rot. Bonds6

About N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide

N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide (PubChem CID 54815077) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
PubChem CID54815077
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
SMILESCC(NCC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18(19-10-5-4-6-11-19)24-17-22(27)25-21-13-9-12-20(16-21)23(28)26-14-7-2-3-8-15-26/h4-6,9-13,16,18,24H,2-3,7-8,14-15,17H2,1H3,(H,25,27)
InChIKeyHXNOGSAWKHMTTN-UHFFFAOYSA-N
XLogP3.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54814951
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide (CID 54815077) is N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide is CC(NCC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide?
The InChIKey is HXNOGSAWKHMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(19-10-5-4-6-11-19)24-17-22(27)25-21-13-9-12-20(16-21)23(28)26-14-7-2-3-8-15-26/h4-6,9-13,16,18,24H,2-3,7-8,14-15,17H2,1H3,(H,25,27).
What are the key properties of N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide?
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 54815077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).