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

C25H20N2O4 — CID 91944841

IUPAC4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCc1ccc(COc2ccc(C(=O)NN=Cc3coc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C25H20N2O4/c1-17-6-8-18(9-7-17)15-30-21-12-10-19(11-13-21)25(29)27-26-14-20-16-31-23-5-3-2-4-22(23)24(20)28/h2-14,16H,15H2,1H3,(H,27,29)
InChIKeyOWWWLTJVODPWIN-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.44
Rot. Bonds6

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

4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide (PubChem CID 91944841) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
PubChem CID91944841
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCc1ccc(COc2ccc(C(=O)NN=Cc3coc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C25H20N2O4/c1-17-6-8-18(9-7-17)15-30-21-12-10-19(11-13-21)25(29)27-26-14-20-16-31-23-5-3-2-4-22(23)24(20)28/h2-14,16H,15H2,1H3,(H,27,29)
InChIKeyOWWWLTJVODPWIN-UHFFFAOYSA-N
XLogP4.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
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

2-[(4-chlorophenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944962
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
CID 26871479
N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518266
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
4-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
CID 172931261
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 136766907
4-butoxy-N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzamide
CID 17385518
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 78518160
[4-[[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3499826

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide (CID 91944841) is 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide is Cc1ccc(COc2ccc(C(=O)NN=Cc3coc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide?
The InChIKey is OWWWLTJVODPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-17-6-8-18(9-7-17)15-30-21-12-10-19(11-13-21)25(29)27-26-14-20-16-31-23-5-3-2-4-22(23)24(20)28/h2-14,16H,15H2,1H3,(H,27,29).
What are the key properties of 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide?
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 91944841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).