N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide

C24H23NO2 — CID 163377697

IUPACN-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
SMILESCN(Cc1ccccc1)C(=O)C(c1ccccc1)C(C=O)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-25(17-19-11-5-2-6-12-19)24(27)23(21-15-9-4-10-16-21)22(18-26)20-13-7-3-8-14-20/h2-16,18,22-23H,17H2,1H3
InChIKeyWWHWDMJASPRJCU-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.41
Rot. Bonds7

About N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide

N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide (PubChem CID 163377697) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
PubChem CID163377697
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
SMILESCN(Cc1ccccc1)C(=O)C(c1ccccc1)C(C=O)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-25(17-19-11-5-2-6-12-19)24(27)23(21-15-9-4-10-16-21)22(18-26)20-13-7-3-8-14-20/h2-16,18,22-23H,17H2,1H3
InChIKeyWWHWDMJASPRJCU-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67863072
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N,N'-dibenzyl-N,N'-dimethylpropanediamide
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N-benzyl-2-methoxy-N-methylpropanamide
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(2R)-N-benzyl-2-hydroxy-N-methylpent-4-enamide
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(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
CID 11087866
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
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CID 61148158
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CID 119681290

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide?
The IUPAC name of N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide (CID 163377697) is N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide.
What is the SMILES notation for N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide?
The canonical SMILES for N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide is CN(Cc1ccccc1)C(=O)C(c1ccccc1)C(C=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide?
The InChIKey is WWHWDMJASPRJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-25(17-19-11-5-2-6-12-19)24(27)23(21-15-9-4-10-16-21)22(18-26)20-13-7-3-8-14-20/h2-16,18,22-23H,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide?
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide has a molecular weight of 357.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide is sourced from PubChem (CID 163377697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).