4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide

C19H16N2O4 — CID 135470389

IUPAC4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O
InChIInChI=1S/C19H16N2O4/c1-25-18-10-12(6-9-17(18)23)19(24)21-20-11-13-7-8-16(22)15-5-3-2-4-14(13)15/h2-11,22-23H,1H3,(H,21,24)/b20-11+
InChIKeyYKVASIUVTUURNE-RGVLZGJSSA-N
MW336.35 g/mol
LogP3.02
Rot. Bonds4

About 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide

4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide (PubChem CID 135470389) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
PubChem CID135470389
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O
InChIInChI=1S/C19H16N2O4/c1-25-18-10-12(6-9-17(18)23)19(24)21-20-11-13-7-8-16(22)15-5-3-2-4-14(13)15/h2-11,22-23H,1H3,(H,21,24)/b20-11+
InChIKeyYKVASIUVTUURNE-RGVLZGJSSA-N
XLogP3.02
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
Dynasore
CID 135533054
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135576617
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
N'-[(2-methoxy-1-naphthyl)methylene]-4-biphenylcarbohydrazide
CID 5332319
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenoxybenzamide
CID 44263380
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
N'-[(E)-(3-hydroxyphenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883303

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide (CID 135470389) is 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide is COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
The InChIKey is YKVASIUVTUURNE-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-18-10-12(6-9-17(18)23)19(24)21-20-11-13-7-8-16(22)15-5-3-2-4-14(13)15/h2-11,22-23H,1H3,(H,21,24)/b20-11+.
What are the key properties of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide has a molecular weight of 336.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 135470389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).