(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid

C19H20N2O6 — CID 10309256

IUPAC(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)c1
InChIInChI=1S/C19H20N2O6/c1-26-15-9-13(10-16(11-15)27-2)19(24)20-14-5-3-12(4-6-14)17(21-25)7-8-18(22)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,20,24)(H,22,23)/b21-17-
InChIKeyHPZYFIMVTVWSPY-FXBPSFAMSA-N
MW372.38 g/mol
LogP3.00
Rot. Bonds8

About (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid

(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid (PubChem CID 10309256) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
PubChem CID10309256
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)c1
InChIInChI=1S/C19H20N2O6/c1-26-15-9-13(10-16(11-15)27-2)19(24)20-14-5-3-12(4-6-14)17(21-25)7-8-18(22)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,20,24)(H,22,23)/b21-17-
InChIKeyHPZYFIMVTVWSPY-FXBPSFAMSA-N
XLogP3.00
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014498
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
(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
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
(4E)-4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 22992451
4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014468
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
4-[4-[(2,4-difluorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014492
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The IUPAC name of (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid (CID 10309256) is (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid.
What is the SMILES notation for (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The canonical SMILES for (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid is COc1cc(OC)cc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)c1.
What is the InChIKey of (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The InChIKey is HPZYFIMVTVWSPY-FXBPSFAMSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-26-15-9-13(10-16(11-15)27-2)19(24)20-14-5-3-12(4-6-14)17(21-25)7-8-18(22)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,20,24)(H,22,23)/b21-17-.
What are the key properties of (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid has a molecular weight of 372.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid is sourced from PubChem (CID 10309256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).