7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide

C19H31N3O — CID 119892117

IUPAC7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C19H31N3O/c20-13-6-2-1-5-12-19(23)21-17-10-9-11-18(16-17)22-14-7-3-4-8-15-22/h9-11,16H,1-8,12-15,20H2,(H,21,23)
InChIKeyUNEPEVHDLSARSF-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.91
Rot. Bonds8

About 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide

7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide (PubChem CID 119892117) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
PubChem CID119892117
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C19H31N3O/c20-13-6-2-1-5-12-19(23)21-17-10-9-11-18(16-17)22-14-7-3-4-8-15-22/h9-11,16H,1-8,12-15,20H2,(H,21,23)
InChIKeyUNEPEVHDLSARSF-UHFFFAOYSA-N
XLogP3.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
CID 126839368
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 79473484
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide (CID 119892117) is 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide is NCCCCCCC(=O)Nc1cccc(N2CCCCCC2)c1.
What is the InChIKey of 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide?
The InChIKey is UNEPEVHDLSARSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c20-13-6-2-1-5-12-19(23)21-17-10-9-11-18(16-17)22-14-7-3-4-8-15-22/h9-11,16H,1-8,12-15,20H2,(H,21,23).
What are the key properties of 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide?
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide has a molecular weight of 317.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide is sourced from PubChem (CID 119892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).