1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone

C17H26N2O — CID 115573496

IUPAC1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
SMILESCC(CNCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-15(16-9-5-4-6-10-16)13-18-14-17(20)19-11-7-2-3-8-12-19/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3
InChIKeyRWIPMEBKUZAMOL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds5

About 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone

1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone (PubChem CID 115573496) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
PubChem CID115573496
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
SMILESCC(CNCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-15(16-9-5-4-6-10-16)13-18-14-17(20)19-11-7-2-3-8-12-19/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3
InChIKeyRWIPMEBKUZAMOL-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
CID 115582050
2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
CID 113222784
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone (CID 115573496) is 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone is CC(CNCC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone?
The InChIKey is RWIPMEBKUZAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15(16-9-5-4-6-10-16)13-18-14-17(20)19-11-7-2-3-8-12-19/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone?
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone is sourced from PubChem (CID 115573496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).