(3R)-3-amino-1-(1-phenylethyl)azepan-2-one

C14H20N2O — CID 154443959

IUPAC(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
SMILESCC(c1ccccc1)N1CCCC[C@@H](N)C1=O
InChIInChI=1S/C14H20N2O/c1-11(12-7-3-2-4-8-12)16-10-6-5-9-13(15)14(16)17/h2-4,7-8,11,13H,5-6,9-10,15H2,1H3/t11?,13-/m1/s1
InChIKeySNMDGRDRRVGRJX-GLGOKHISSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds2

About (3R)-3-amino-1-(1-phenylethyl)azepan-2-one

(3R)-3-amino-1-(1-phenylethyl)azepan-2-one (PubChem CID 154443959) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R)-3-amino-1-(1-phenylethyl)azepan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
PubChem CID154443959
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
SMILESCC(c1ccccc1)N1CCCC[C@@H](N)C1=O
InChIInChI=1S/C14H20N2O/c1-11(12-7-3-2-4-8-12)16-10-6-5-9-13(15)14(16)17/h2-4,7-8,11,13H,5-6,9-10,15H2,1H3/t11?,13-/m1/s1
InChIKeySNMDGRDRRVGRJX-GLGOKHISSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
3-amino-1-propan-2-ylazepan-2-one
CID 45096497
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
2-(1-phenylethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929079
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-amino-1-phenylazepan-2-one
CID 59657864
3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11645209
(3S)-3-[(2,6-dimethylphenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741151
3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11716286
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741145

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(1-phenylethyl)azepan-2-one?
The IUPAC name of (3R)-3-amino-1-(1-phenylethyl)azepan-2-one (CID 154443959) is (3R)-3-amino-1-(1-phenylethyl)azepan-2-one.
What is the SMILES notation for (3R)-3-amino-1-(1-phenylethyl)azepan-2-one?
The canonical SMILES for (3R)-3-amino-1-(1-phenylethyl)azepan-2-one is CC(c1ccccc1)N1CCCC[C@@H](N)C1=O.
What is the InChIKey of (3R)-3-amino-1-(1-phenylethyl)azepan-2-one?
The InChIKey is SNMDGRDRRVGRJX-GLGOKHISSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(12-7-3-2-4-8-12)16-10-6-5-9-13(15)14(16)17/h2-4,7-8,11,13H,5-6,9-10,15H2,1H3/t11?,13-/m1/s1.
What are the key properties of (3R)-3-amino-1-(1-phenylethyl)azepan-2-one?
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(1-phenylethyl)azepan-2-one is sourced from PubChem (CID 154443959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).