2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide

C32H32N4O3 — CID 29057414

IUPAC2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N4O3/c1-3-23(2)29(32(39)35-36(25-17-9-5-10-18-25)26-19-11-6-12-20-26)34-31(38)27-21-13-14-22-28(27)33-30(37)24-15-7-4-8-16-24/h4-23,29H,3H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)/t23-,29+/m0/s1
InChIKeyCSQNVSHYQLGMOS-MUAVYFROSA-N
MW520.63 g/mol
LogP5.95
Rot. Bonds10

About 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide

2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 29057414) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID29057414
Molecular FormulaC32H32N4O3
Molecular Weight520.63 g/mol
Exact Mass520.25
IUPAC Name2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N4O3/c1-3-23(2)29(32(39)35-36(25-17-9-5-10-18-25)26-19-11-6-12-20-26)34-31(38)27-21-13-14-22-28(27)33-30(37)24-15-7-4-8-16-24/h4-23,29H,3H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)/t23-,29+/m0/s1
InChIKeyCSQNVSHYQLGMOS-MUAVYFROSA-N
XLogP5.95
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.95
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-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
CID 4096684
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
2-benzamido-N-[(2S,3R)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 7242642
N-[(2S,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064286
N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064290
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
2-benzamido-N-(4-hydroxybutan-2-yl)benzamide
CID 3497950
ethyl 4-[[(2R)-2-[(2-benzamidobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 41190715

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide (CID 29057414) is 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is CSQNVSHYQLGMOS-MUAVYFROSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-3-23(2)29(32(39)35-36(25-17-9-5-10-18-25)26-19-11-6-12-20-26)34-31(38)27-21-13-14-22-28(27)33-30(37)24-15-7-4-8-16-24/h4-23,29H,3H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)/t23-,29+/m0/s1.
What are the key properties of 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 520.63 g/mol, XLogP of 5.95, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 29057414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).