(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid

C17H16N2O4 — CID 10193227

IUPAC(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
SMILESO=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O4/c20-16(21)11-10-15(19-23)12-6-8-14(9-7-12)18-17(22)13-4-2-1-3-5-13/h1-9,23H,10-11H2,(H,18,22)(H,20,21)/b19-15-
InChIKeyYTUIZOJZCXHLQN-CYVLTUHYSA-N
MW312.32 g/mol
LogP2.98
Rot. Bonds6

About (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid

(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid (PubChem CID 10193227) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
PubChem CID10193227
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
SMILESO=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O4/c20-16(21)11-10-15(19-23)12-6-8-14(9-7-12)18-17(22)13-4-2-1-3-5-13/h1-9,23H,10-11H2,(H,18,22)(H,20,21)/b19-15-
InChIKeyYTUIZOJZCXHLQN-CYVLTUHYSA-N
XLogP2.98
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 22992471
(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 10268829
(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 10271176
(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 10309256
4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014498
4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014468
(4E)-4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 22992451
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
4-[4-[(2,4-difluorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014492
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid?
The IUPAC name of (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid (CID 10193227) is (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid.
What is the SMILES notation for (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid?
The canonical SMILES for (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid is O=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid?
The InChIKey is YTUIZOJZCXHLQN-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(21)11-10-15(19-23)12-6-8-14(9-7-12)18-17(22)13-4-2-1-3-5-13/h1-9,23H,10-11H2,(H,18,22)(H,20,21)/b19-15-.
What are the key properties of (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid?
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid has a molecular weight of 312.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid is sourced from PubChem (CID 10193227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).