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

C23H21N3O3 — CID 1034803

IUPACN-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21N3O3/c1-16-8-3-4-11-19(16)22(27)25-21-13-6-5-12-20(21)23(28)26-24-15-17-9-7-10-18(14-17)29-2/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyGKKLCKPKGUYMLA-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.02
Rot. Bonds6

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

N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 1034803) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID1034803
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21N3O3/c1-16-8-3-4-11-19(16)22(27)25-21-13-6-5-12-20(21)23(28)26-24-15-17-9-7-10-18(14-17)29-2/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyGKKLCKPKGUYMLA-UHFFFAOYSA-N
XLogP4.02
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[(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

Related Compounds

N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3395997
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 1034803) is N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is COc1cccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is GKKLCKPKGUYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-8-3-4-11-19(16)22(27)25-21-13-6-5-12-20(21)23(28)26-24-15-17-9-7-10-18(14-17)29-2/h3-15H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 1034803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).