(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide

C18H20N2O2 — CID 51942532

IUPAC(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1ccccc1CC(N)=O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13(14-7-3-2-4-8-14)11-18(22)20-16-10-6-5-9-15(16)12-17(19)21/h2-10,13H,11-12H2,1H3,(H2,19,21)(H,20,22)/t13-/m1/s1
InChIKeyDGNIBFXHXJPYJD-CYBMUJFWSA-N
MW296.37 g/mol
LogP2.85
Rot. Bonds6

About (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide

(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide (PubChem CID 51942532) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
PubChem CID51942532
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1ccccc1CC(N)=O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13(14-7-3-2-4-8-14)11-18(22)20-16-10-6-5-9-15(16)12-17(19)21/h2-10,13H,11-12H2,1H3,(H2,19,21)(H,20,22)/t13-/m1/s1
InChIKeyDGNIBFXHXJPYJD-CYBMUJFWSA-N
XLogP2.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide (CID 51942532) is (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide is C[C@H](CC(=O)Nc1ccccc1CC(N)=O)c1ccccc1.
What is the InChIKey of (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide?
The InChIKey is DGNIBFXHXJPYJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(14-7-3-2-4-8-14)11-18(22)20-16-10-6-5-9-15(16)12-17(19)21/h2-10,13H,11-12H2,1H3,(H2,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide?
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide is sourced from PubChem (CID 51942532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).