4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide

C16H16N2O2 — CID 913508

IUPAC4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2cccc(C)c2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-4-3-5-13(10-12)11-17-18-16(19)14-6-8-15(20-2)9-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeyGCGSDLSUEPCUGK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds4

About 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide

4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide (PubChem CID 913508) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
PubChem CID913508
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2cccc(C)c2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-4-3-5-13(10-12)11-17-18-16(19)14-6-8-15(20-2)9-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeyGCGSDLSUEPCUGK-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1001770
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide (CID 913508) is 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2cccc(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is GCGSDLSUEPCUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-4-3-5-13(10-12)11-17-18-16(19)14-6-8-15(20-2)9-7-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide?
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 913508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).