(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid

C19H20N2O4 — CID 10268829

IUPAC(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
SMILESCCc1ccc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-13-3-5-15(6-4-13)19(24)20-16-9-7-14(8-10-16)17(21-25)11-12-18(22)23/h3-10,25H,2,11-12H2,1H3,(H,20,24)(H,22,23)/b21-17-
InChIKeyBAIQKGOCQUGMFJ-FXBPSFAMSA-N
MW340.38 g/mol
LogP3.54
Rot. Bonds7

About (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid

(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid (PubChem CID 10268829) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
PubChem CID10268829
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
SMILESCCc1ccc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-13-3-5-15(6-4-13)19(24)20-16-9-7-14(8-10-16)17(21-25)11-12-18(22)23/h3-10,25H,2,11-12H2,1H3,(H,20,24)(H,22,23)/b21-17-
InChIKeyBAIQKGOCQUGMFJ-FXBPSFAMSA-N
XLogP3.54
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.54
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-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
(4E)-4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 22992451
4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014468
4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014498
N-(4-ethylphenyl)benzamide
CID 774063
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
4-[4-(adamantane-1-carbonylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014503
4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 93040826

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The IUPAC name of (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid (CID 10268829) is (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid.
What is the SMILES notation for (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The canonical SMILES for (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid is CCc1ccc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)cc1.
What is the InChIKey of (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The InChIKey is BAIQKGOCQUGMFJ-FXBPSFAMSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-13-3-5-15(6-4-13)19(24)20-16-9-7-14(8-10-16)17(21-25)11-12-18(22)23/h3-10,25H,2,11-12H2,1H3,(H,20,24)(H,22,23)/b21-17-.
What are the key properties of (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid is sourced from PubChem (CID 10268829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).