N-[3-(azepan-2-ylmethyl)phenyl]acetamide

C15H22N2O — CID 70141371

IUPACN-[3-(azepan-2-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2CCCCCN2)c1
InChIInChI=1S/C15H22N2O/c1-12(18)17-15-8-5-6-13(11-15)10-14-7-3-2-4-9-16-14/h5-6,8,11,14,16H,2-4,7,9-10H2,1H3,(H,17,18)
InChIKeyVPUUQOUZASDBLX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds3

About N-[3-(azepan-2-ylmethyl)phenyl]acetamide

N-[3-(azepan-2-ylmethyl)phenyl]acetamide (PubChem CID 70141371) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3-(azepan-2-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(azepan-2-ylmethyl)phenyl]acetamide
PubChem CID70141371
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3-(azepan-2-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2CCCCCN2)c1
InChIInChI=1S/C15H22N2O/c1-12(18)17-15-8-5-6-13(11-15)10-14-7-3-2-4-9-16-14/h5-6,8,11,14,16H,2-4,7,9-10H2,1H3,(H,17,18)
InChIKeyVPUUQOUZASDBLX-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
[2-[3-[3-(azepan-2-ylmethyl)phenoxy]propylamino]-2-oxoethyl] acetate
CID 54404063

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-2-ylmethyl)phenyl]acetamide?
The IUPAC name of N-[3-(azepan-2-ylmethyl)phenyl]acetamide (CID 70141371) is N-[3-(azepan-2-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(azepan-2-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(azepan-2-ylmethyl)phenyl]acetamide is CC(=O)Nc1cccc(CC2CCCCCN2)c1.
What is the InChIKey of N-[3-(azepan-2-ylmethyl)phenyl]acetamide?
The InChIKey is VPUUQOUZASDBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(18)17-15-8-5-6-13(11-15)10-14-7-3-2-4-9-16-14/h5-6,8,11,14,16H,2-4,7,9-10H2,1H3,(H,17,18).
What are the key properties of N-[3-(azepan-2-ylmethyl)phenyl]acetamide?
N-[3-(azepan-2-ylmethyl)phenyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-2-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 70141371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).