N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide

C22H22N2O4 — CID 59185962

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(OC)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-11-8-15(12-20(19)27-2)14-23-24-22(25)21(28-3)18-10-9-16-6-4-5-7-17(16)13-18/h4-14,21H,1-3H3,(H,24,25)/b23-14+
InChIKeyJIIUCGDLHBSGSJ-OEAKJJBVSA-N
MW378.43 g/mol
LogP3.69
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide (PubChem CID 59185962) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
PubChem CID59185962
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(OC)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-11-8-15(12-20(19)27-2)14-23-24-22(25)21(28-3)18-10-9-16-6-4-5-7-17(16)13-18/h4-14,21H,1-3H3,(H,24,25)/b23-14+
InChIKeyJIIUCGDLHBSGSJ-OEAKJJBVSA-N
XLogP3.69
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.69
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-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methyl-2-phenylacetamide;N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide;iodomethane
CID 172939095
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 86771790
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
CID 75060573
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 135537540

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide (CID 59185962) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide is COc1ccc(/C=N/NC(=O)C(OC)c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
The InChIKey is JIIUCGDLHBSGSJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-11-8-15(12-20(19)27-2)14-23-24-22(25)21(28-3)18-10-9-16-6-4-5-7-17(16)13-18/h4-14,21H,1-3H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide has a molecular weight of 378.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 59185962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).