(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one

C18H21NO — CID 69016992

IUPAC(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(20)18(14-17-10-6-3-7-11-17)19-13-12-16-8-4-2-5-9-16/h2-11,18-19H,12-14H2,1H3/t18-/m0/s1
InChIKeyPRSFLHCGXMZUQJ-SFHVURJKSA-N
MW267.37 g/mol
LogP3.02
Rot. Bonds7

About (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one

(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one (PubChem CID 69016992) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one.

Molecular Properties

Compound Name(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
PubChem CID69016992
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(20)18(14-17-10-6-3-7-11-17)19-13-12-16-8-4-2-5-9-16/h2-11,18-19H,12-14H2,1H3/t18-/m0/s1
InChIKeyPRSFLHCGXMZUQJ-SFHVURJKSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
(2S)-2-[2-(4-tert-butylphenyl)ethylamino]-3-phenylpropanoic acid
CID 122037566
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
N,N-dibenzyl-2-(2-phenylethylamino)butanamide
CID 164667444
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507

Frequently Asked Questions

What is the IUPAC name of (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one?
The IUPAC name of (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one (CID 69016992) is (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one.
What is the SMILES notation for (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one?
The canonical SMILES for (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one is CC(=O)[C@H](Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one?
The InChIKey is PRSFLHCGXMZUQJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(20)18(14-17-10-6-3-7-11-17)19-13-12-16-8-4-2-5-9-16/h2-11,18-19H,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one?
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one is sourced from PubChem (CID 69016992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).