4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide

C17H27N3O — CID 120565751

IUPAC4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-14(18)9-10-17(21)19-15-7-6-8-16(13-15)20-11-4-2-3-5-12-20/h6-8,13-14H,2-5,9-12,18H2,1H3,(H,19,21)
InChIKeyAKFFXTQQMSVCTQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.13
Rot. Bonds5

About 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide

4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide (PubChem CID 120565751) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
PubChem CID120565751
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-14(18)9-10-17(21)19-15-7-6-8-16(13-15)20-11-4-2-3-5-12-20/h6-8,13-14H,2-5,9-12,18H2,1H3,(H,19,21)
InChIKeyAKFFXTQQMSVCTQ-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide (CID 120565751) is 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide is CC(N)CCC(=O)Nc1cccc(N2CCCCCC2)c1.
What is the InChIKey of 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide?
The InChIKey is AKFFXTQQMSVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(18)9-10-17(21)19-15-7-6-8-16(13-15)20-11-4-2-3-5-12-20/h6-8,13-14H,2-5,9-12,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide?
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide is sourced from PubChem (CID 120565751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).