2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide

C24H25N2O4+ — CID 6489932

IUPAC2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=C/c3cc[n+](C)cc3)cc2OC)cc1
InChIInChI=1S/C24H24N2O4/c1-26-14-12-18(13-15-26)4-5-19-6-11-22(23(16-19)29-3)30-17-24(27)25-20-7-9-21(28-2)10-8-20/h4-16H,17H2,1-3H3/p+1/b5-4+
InChIKeyXUGDNULORZUNMN-SNAWJCMRSA-O
MW405.47 g/mol
LogP3.72
Rot. Bonds8

About 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide

2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 6489932) has the molecular formula C24H25N2O4+ and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID6489932
Molecular FormulaC24H25N2O4+
Molecular Weight405.47 g/mol
Exact Mass405.18
IUPAC Name2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=C/c3cc[n+](C)cc3)cc2OC)cc1
InChIInChI=1S/C24H24N2O4/c1-26-14-12-18(13-15-26)4-5-19-6-11-22(23(16-19)29-3)30-17-24(27)25-20-7-9-21(28-2)10-8-20/h4-16H,17H2,1-3H3/p+1/b5-4+
InChIKeyXUGDNULORZUNMN-SNAWJCMRSA-O
XLogP3.72
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 6489929
2-[2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-phenylacetamide
CID 6489928
N'-[(Z)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267664
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
(E)-N-(2-amino-4-methylphenyl)-3-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 72696073
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654147
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168534931
3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55727070
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
(Z)-N-(4-chlorophenyl)-2-cyano-3-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 124551570
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide (CID 6489932) is 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(/C=C/c3cc[n+](C)cc3)cc2OC)cc1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XUGDNULORZUNMN-SNAWJCMRSA-O. The full InChI is InChI=1S/C24H24N2O4/c1-26-14-12-18(13-15-26)4-5-19-6-11-22(23(16-19)29-3)30-17-24(27)25-20-7-9-21(28-2)10-8-20/h4-16H,17H2,1-3H3/p+1/b5-4+.
What are the key properties of 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 405.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).