2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide

C19H21NO2 — CID 174934239

IUPAC2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide
SMILESO=CCNC(=O)C(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-14-13-20-19(22)18(15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,14,18H,11-13,15H2,(H,20,22)
InChIKeyOSVIRLBDRKCZAH-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.79
Rot. Bonds8

About 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide

2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide (PubChem CID 174934239) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide
PubChem CID174934239
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide
SMILESO=CCNC(=O)C(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-14-13-20-19(22)18(15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,14,18H,11-13,15H2,(H,20,22)
InChIKeyOSVIRLBDRKCZAH-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-oxo-1-(2-oxoethylamino)-3-phenylpropan-2-yl]carbamate
CID 15488851
methyl 2-benzyl-4-oxobutanoate
CID 10608348
N-(2-oxoethyl)-3-phenylpropanamide;3-phenylpropanoyl chloride
CID 159423361
2-benzyl-3-[formyl(phenylmethoxy)amino]propanoic acid;2-benzyl-4-phenylbutanoic acid;nitroxyl
CID 167543833
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
2-benzyl-3-phenylpropanoate;2-phenylacetaldehyde
CID 21117113
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid
CID 14557712
[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid
CID 89313681
2-[[(2S)-2-benzyl-3-chloropropanoyl]amino]acetic acid
CID 11448220
(2S)-2-benzyl-3-[[(2R)-2-benzyl-3-[formyl(hydroxy)amino]propanoyl]amino]propanoic acid
CID 165152538

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide?
The IUPAC name of 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide (CID 174934239) is 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide.
What is the SMILES notation for 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide?
The canonical SMILES for 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide is O=CCNC(=O)C(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide?
The InChIKey is OSVIRLBDRKCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-14-13-20-19(22)18(15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,14,18H,11-13,15H2,(H,20,22).
What are the key properties of 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide?
2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide has a molecular weight of 295.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-oxoethyl)-4-phenylbutanamide is sourced from PubChem (CID 174934239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).