N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide

C23H21N3O4 — CID 136794081

IUPACN-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1O
InChIInChI=1S/C23H21N3O4/c1-15-5-3-6-17(11-15)22(28)25-19-8-4-7-18(13-19)23(29)26-24-14-16-9-10-20(27)21(12-16)30-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14-
InChIKeyRGEALPISOTTWKE-OYKKKHCWSA-N
MW403.44 g/mol
LogP3.73
Rot. Bonds6

About N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide

N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 136794081) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
PubChem CID136794081
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1O
InChIInChI=1S/C23H21N3O4/c1-15-5-3-6-17(11-15)22(28)25-19-8-4-7-18(13-19)23(29)26-24-14-16-9-10-20(27)21(12-16)30-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14-
InChIKeyRGEALPISOTTWKE-OYKKKHCWSA-N
XLogP3.73
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.73
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'}

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Related Compounds

[2-methoxy-4-[[[3-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126226023
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135615922
3-[(3-bromobenzoyl)amino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 171135912
[4-[[(3-benzamidobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 126226042
[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
CID 126228069
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137052218
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
[2-methoxy-4-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126231109
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide (CID 136794081) is N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide is COc1cc(/C=N\NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1O.
What is the InChIKey of N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is RGEALPISOTTWKE-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-5-3-6-17(11-15)22(28)25-19-8-4-7-18(13-19)23(29)26-24-14-16-9-10-20(27)21(12-16)30-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14-.
What are the key properties of N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 403.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 136794081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).