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

C14H21N3O — CID 119892163

IUPAC2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C14H21N3O/c15-11-14(18)16-12-6-5-7-13(10-12)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,15H2,(H,16,18)
InChIKeyHHMNBRBUKOHGFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds3

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

2-amino-N-[3-(azepan-1-yl)phenyl]acetamide (PubChem CID 119892163) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
PubChem CID119892163
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C14H21N3O/c15-11-14(18)16-12-6-5-7-13(10-12)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,15H2,(H,16,18)
InChIKeyHHMNBRBUKOHGFV-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 79473484
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
3-(2-hydroxyphenyl)-N-(3-piperidin-1-ylphenyl)propanamide
CID 47070895

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide (CID 119892163) is 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide is NCC(=O)Nc1cccc(N2CCCCCC2)c1.
What is the InChIKey of 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide?
The InChIKey is HHMNBRBUKOHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-11-14(18)16-12-6-5-7-13(10-12)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,15H2,(H,16,18).
What are the key properties of 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide?
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(azepan-1-yl)phenyl]acetamide is sourced from PubChem (CID 119892163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).