N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C23H21N3O4 — CID 135688448

IUPACN-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)ccc1O
InChIInChI=1S/C23H21N3O4/c1-15-6-3-4-9-19(15)23(29)25-18-8-5-7-17(13-18)22(28)26-24-14-16-10-11-20(27)21(12-16)30-2/h3-14,27H,1-2H3,(H,25,29)(H,26,28)/b24-14+
InChIKeySEVZKVFECIZMRA-ZVHZXABRSA-N
MW403.44 g/mol
LogP3.73
Rot. Bonds6

About N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 135688448) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID135688448
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)ccc1O
InChIInChI=1S/C23H21N3O4/c1-15-6-3-4-9-19(15)23(29)25-18-8-5-7-17(13-18)22(28)26-24-14-16-10-11-20(27)21(12-16)30-2/h3-14,27H,1-2H3,(H,25,29)(H,26,28)/b24-14+
InChIKeySEVZKVFECIZMRA-ZVHZXABRSA-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'}

Analyze N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 135688448) is N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)ccc1O.
What is the InChIKey of N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is SEVZKVFECIZMRA-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-6-3-4-9-19(15)23(29)25-18-8-5-7-17(13-18)22(28)26-24-14-16-10-11-20(27)21(12-16)30-2/h3-14,27H,1-2H3,(H,25,29)(H,26,28)/b24-14+.
What are the key properties of N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[3-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-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-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 135688448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).