N-(azepan-4-yl)-N-methyl-3-phenylpropanamide

C16H24N2O — CID 104974503

IUPACN-(azepan-4-yl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)C1CCCNCC1
InChIInChI=1S/C16H24N2O/c1-18(15-8-5-12-17-13-11-15)16(19)10-9-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyBFGRXDOEGCUFQE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds4

About N-(azepan-4-yl)-N-methyl-3-phenylpropanamide

N-(azepan-4-yl)-N-methyl-3-phenylpropanamide (PubChem CID 104974503) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methyl-3-phenylpropanamide
PubChem CID104974503
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(azepan-4-yl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)C1CCCNCC1
InChIInChI=1S/C16H24N2O/c1-18(15-8-5-12-17-13-11-15)16(19)10-9-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyBFGRXDOEGCUFQE-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
CID 119443283
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442803
N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
CID 119443079
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-methyl-3-phenyl-N-(3-phenylcyclobutyl)propanamide
CID 166696391
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-(azepan-4-yl)-N-methyl-3-phenylpropanamide (CID 104974503) is N-(azepan-4-yl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(azepan-4-yl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-(azepan-4-yl)-N-methyl-3-phenylpropanamide is CN(C(=O)CCc1ccccc1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-methyl-3-phenylpropanamide?
The InChIKey is BFGRXDOEGCUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(15-8-5-12-17-13-11-15)16(19)10-9-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3.
What are the key properties of N-(azepan-4-yl)-N-methyl-3-phenylpropanamide?
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 104974503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).