N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide

C24H24N2O4 — CID 110509397

IUPACN-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C24H24N2O4/c1-16-4-5-17(2)20(12-16)15-30-22-11-6-18(13-23(22)29-3)14-25-26-24(28)19-7-9-21(27)10-8-19/h4-14,27H,15H2,1-3H3,(H,26,28)/b25-14-
InChIKeyJXBTWXYHCGAMFW-QFEZKATASA-N
MW404.47 g/mol
LogP4.36
Rot. Bonds7

About N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide

N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 110509397) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID110509397
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C24H24N2O4/c1-16-4-5-17(2)20(12-16)15-30-22-11-6-18(13-23(22)29-3)14-25-26-24(28)19-7-9-21(27)10-8-19/h4-14,27H,15H2,1-3H3,(H,26,28)/b25-14-
InChIKeyJXBTWXYHCGAMFW-QFEZKATASA-N
XLogP4.36
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514723
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
CID 4125669
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 112537999
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 4040779
N-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699
4-chloro-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 19169715
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methylbenzamide
CID 96885250
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide (CID 110509397) is N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide is COc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1cc(C)ccc1C.
What is the InChIKey of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is JXBTWXYHCGAMFW-QFEZKATASA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-4-5-17(2)20(12-16)15-30-22-11-6-18(13-23(22)29-3)14-25-26-24(28)19-7-9-21(27)10-8-19/h4-14,27H,15H2,1-3H3,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 110509397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).