4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid

C18H17N3O5 — CID 3293283

IUPAC4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O5/c22-15(10-11-16(23)24)20-21-18(26)13-6-8-14(9-7-13)19-17(25)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,25)(H,20,22)(H,21,26)(H,23,24)
InChIKeyAHXMDTSUYPRMJR-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.56
Rot. Bonds6

About 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid

4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid (PubChem CID 3293283) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
PubChem CID3293283
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O5/c22-15(10-11-16(23)24)20-21-18(26)13-6-8-14(9-7-13)19-17(25)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,25)(H,20,22)(H,21,26)(H,23,24)
InChIKeyAHXMDTSUYPRMJR-UHFFFAOYSA-N
XLogP1.56
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.56
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

(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid (CID 3293283) is 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid is O=C(O)CCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid?
The InChIKey is AHXMDTSUYPRMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-15(10-11-16(23)24)20-21-18(26)13-6-8-14(9-7-13)19-17(25)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,25)(H,20,22)(H,21,26)(H,23,24).
What are the key properties of 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid?
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid has a molecular weight of 355.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid is sourced from PubChem (CID 3293283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).