2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide

C30H28N4O3 — CID 4096684

IUPAC2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N4O3/c1-2-26(30(37)33-34(23-16-8-4-9-17-23)24-18-10-5-11-19-24)31-29(36)25-20-12-13-21-27(25)32-28(35)22-14-6-3-7-15-22/h3-21,26H,2H2,1H3,(H,31,36)(H,32,35)(H,33,37)
InChIKeySRECIUANOZRPPU-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.32
Rot. Bonds9

About 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide

2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide (PubChem CID 4096684) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
PubChem CID4096684
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N4O3/c1-2-26(30(37)33-34(23-16-8-4-9-17-23)24-18-10-5-11-19-24)31-29(36)25-20-12-13-21-27(25)32-28(35)22-14-6-3-7-15-22/h3-21,26H,2H2,1H3,(H,31,36)(H,32,35)(H,33,37)
InChIKeySRECIUANOZRPPU-UHFFFAOYSA-N
XLogP5.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 29057414
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
CID 3481613
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 3436159
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
2-benzamido-N-(4-hydroxybutan-2-yl)benzamide
CID 3497950
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide (CID 4096684) is 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide is CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide?
The InChIKey is SRECIUANOZRPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-2-26(30(37)33-34(23-16-8-4-9-17-23)24-18-10-5-11-19-24)31-29(36)25-20-12-13-21-27(25)32-28(35)22-14-6-3-7-15-22/h3-21,26H,2H2,1H3,(H,31,36)(H,32,35)(H,33,37).
What are the key properties of 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide?
2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide has a molecular weight of 492.58 g/mol, XLogP of 5.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4096684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).