1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone

C18H28N2O2 — CID 95621718

IUPAC1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone
SMILESCC[C@](CO)(NCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-18(15-21,16-10-6-5-7-11-16)19-14-17(22)20-12-8-3-4-9-13-20/h5-7,10-11,19,21H,2-4,8-9,12-15H2,1H3/t18-/m1/s1
InChIKeyAZQFRGAZZOKFCH-GOSISDBHSA-N
MW304.43 g/mol
LogP2.28
Rot. Bonds6

About 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone

1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone (PubChem CID 95621718) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone
PubChem CID95621718
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone
SMILESCC[C@](CO)(NCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-18(15-21,16-10-6-5-7-11-16)19-14-17(22)20-12-8-3-4-9-13-20/h5-7,10-11,19,21H,2-4,8-9,12-15H2,1H3/t18-/m1/s1
InChIKeyAZQFRGAZZOKFCH-GOSISDBHSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone with MolForge

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Related Compounds

2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
CID 75426168
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111947976
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone (CID 95621718) is 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone is CC[C@](CO)(NCC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone?
The InChIKey is AZQFRGAZZOKFCH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-18(15-21,16-10-6-5-7-11-16)19-14-17(22)20-12-8-3-4-9-13-20/h5-7,10-11,19,21H,2-4,8-9,12-15H2,1H3/t18-/m1/s1.
What are the key properties of 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone?
1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone is sourced from PubChem (CID 95621718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).