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

C16H16N2O3 — CID 910496

IUPACN-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1O
InChIInChI=1S/C16H16N2O3/c1-11-3-6-13(7-4-11)16(20)18-17-10-12-5-8-15(21-2)14(19)9-12/h3-10,19H,1-2H3,(H,18,20)
InChIKeyFUIBNAXAKXAAAV-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.47
Rot. Bonds4

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

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 910496) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID910496
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1O
InChIInChI=1S/C16H16N2O3/c1-11-3-6-13(7-4-11)16(20)18-17-10-12-5-8-15(21-2)14(19)9-12/h3-10,19H,1-2H3,(H,18,20)
InChIKeyFUIBNAXAKXAAAV-UHFFFAOYSA-N
XLogP2.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.47
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'}

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Related Compounds

4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6019682
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
1-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 5417764
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 5225618

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide (CID 910496) is N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide is COc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1O.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is FUIBNAXAKXAAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-3-6-13(7-4-11)16(20)18-17-10-12-5-8-15(21-2)14(19)9-12/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 284.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 910496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).