N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C24H23N3O6 — CID 135501077

IUPACN-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O6/c1-31-20-12-17(13-21(32-2)22(20)33-3)23(29)26-18-10-8-15(9-11-18)24(30)27-25-14-16-6-4-5-7-19(16)28/h4-14,28H,1-3H3,(H,26,29)(H,27,30)/b25-14+
InChIKeyYOYUSZCHOJXARO-AFUMVMLFSA-N
MW449.46 g/mol
LogP3.43
Rot. Bonds8

About N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 135501077) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID135501077
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O6/c1-31-20-12-17(13-21(32-2)22(20)33-3)23(29)26-18-10-8-15(9-11-18)24(30)27-25-14-16-6-4-5-7-19(16)28/h4-14,28H,1-3H3,(H,26,29)(H,27,30)/b25-14+
InChIKeyYOYUSZCHOJXARO-AFUMVMLFSA-N
XLogP3.43
TPSA118.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-(2,3,4-trimethoxybenzylidene)hydrazino]benzoic acid
CID 9635364
4-[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]benzoic acid
CID 9681936
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 90643793
N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 769317
N-(1-{[2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazino]carbonyl}-2-phenylvinyl)benzamide
CID 135470831
N-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-3,4,5-trimethoxybenzene-1-carbohydrazonic acid
CID 261665
N-[(4-Dimethylaminophenyl)methylideneamino]-3,4,5-trimethoxy-benzamide
CID 285812
[2-ethoxy-4-[(Z)-[[4-(propanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5430393
[4-[(Z)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 6070722
4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6903298
6-((E)-{[3-(benzoylamino)benzoyl]hydrazono}methyl)-2,3-dimethoxybenzoic acid
CID 20846868

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 135501077) is N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YOYUSZCHOJXARO-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-31-20-12-17(13-21(32-2)22(20)33-3)23(29)26-18-10-8-15(9-11-18)24(30)27-25-14-16-6-4-5-7-19(16)28/h4-14,28H,1-3H3,(H,26,29)(H,27,30)/b25-14+.
What are the key properties of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 449.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 135501077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).