N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide

C24H24N2O4 — CID 9359209

IUPACN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-3-29-23-15-19(9-14-22(23)30-17-18-7-5-4-6-8-18)16-25-26-24(27)20-10-12-21(28-2)13-11-20/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-16-
InChIKeyNUVPXOSFJLILLQ-XYGWBWBKSA-N
MW404.47 g/mol
LogP4.44
Rot. Bonds9

About N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide

N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 9359209) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID9359209
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-3-29-23-15-19(9-14-22(23)30-17-18-7-5-4-6-8-18)16-25-26-24(27)20-10-12-21(28-2)13-11-20/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-16-
InChIKeyNUVPXOSFJLILLQ-XYGWBWBKSA-N
XLogP4.44
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
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

N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6872882
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126273066
[4-[(benzoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 4187043
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506601
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126322826
N-[(E)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126307229
4-ethoxy-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29148864
4-[[2-ethoxy-4-[(E)-[(4-ethoxy-3-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126321160

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide (CID 9359209) is N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide is CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is NUVPXOSFJLILLQ-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-23-15-19(9-14-22(23)30-17-18-7-5-4-6-8-18)16-25-26-24(27)20-10-12-21(28-2)13-11-20/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-16-.
What are the key properties of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 9359209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).