2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide

C19H31N3O — CID 125160556

IUPAC2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
SMILESCN(C)CC[C@@H](NC(=O)CN1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-21(2)15-12-18(17-10-6-5-7-11-17)20-19(23)16-22-13-8-3-4-9-14-22/h5-7,10-11,18H,3-4,8-9,12-16H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyASSFBVQCISCECV-GOSISDBHSA-N
MW317.48 g/mol
LogP2.67
Rot. Bonds7

About 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide

2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide (PubChem CID 125160556) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
PubChem CID125160556
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
SMILESCN(C)CC[C@@H](NC(=O)CN1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-21(2)15-12-18(17-10-6-5-7-11-17)20-19(23)16-22-13-8-3-4-9-14-22/h5-7,10-11,18H,3-4,8-9,12-16H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyASSFBVQCISCECV-GOSISDBHSA-N
XLogP2.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 125446316
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 15983561
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide (CID 125160556) is 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide is CN(C)CC[C@@H](NC(=O)CN1CCCCCC1)c1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide?
The InChIKey is ASSFBVQCISCECV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31N3O/c1-21(2)15-12-18(17-10-6-5-7-11-17)20-19(23)16-22-13-8-3-4-9-14-22/h5-7,10-11,18H,3-4,8-9,12-16H2,1-2H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide?
2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide is sourced from PubChem (CID 125160556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).