2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide

C27H28N4O4 — CID 3455596

IUPAC2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C27H28N4O4/c1-3-18(2)23(27(35)31-30-25(33)20-14-8-5-9-15-20)29-26(34)21-16-10-11-17-22(21)28-24(32)19-12-6-4-7-13-19/h4-18,23H,3H2,1-2H3,(H,28,32)(H,29,34)(H,30,33)(H,31,35)
InChIKeyLOABJOHZCNHVQJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.54
Rot. Bonds8

About 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide

2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 3455596) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID3455596
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C27H28N4O4/c1-3-18(2)23(27(35)31-30-25(33)20-14-8-5-9-15-20)29-26(34)21-16-10-11-17-22(21)28-24(32)19-12-6-4-7-13-19/h4-18,23H,3H2,1-2H3,(H,28,32)(H,29,34)(H,30,33)(H,31,35)
InChIKeyLOABJOHZCNHVQJ-UHFFFAOYSA-N
XLogP3.54
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.54
H-Bond Donors ≤ 54
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
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 3829740
2-benzamido-N-[(2S,3R)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 7242642
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064290
N-[(2S,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064286
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 3666932
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide (CID 3455596) is 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is LOABJOHZCNHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-3-18(2)23(27(35)31-30-25(33)20-14-8-5-9-15-20)29-26(34)21-16-10-11-17-22(21)28-24(32)19-12-6-4-7-13-19/h4-18,23H,3H2,1-2H3,(H,28,32)(H,29,34)(H,30,33)(H,31,35).
What are the key properties of 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide?
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 472.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 3455596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).