3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide

C21H25NO4 — CID 31850269

IUPAC3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCc2ccc(OC)cc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-5-6-16-13-17(14-19(25-3)20(16)26-4)21(23)22-12-11-15-7-9-18(24-2)10-8-15/h5,7-10,13-14H,1,6,11-12H2,2-4H3,(H,22,23)
InChIKeyCNJQGWCQYUMRHK-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.41
Rot. Bonds9

About 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide

3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide (PubChem CID 31850269) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
PubChem CID31850269
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCc2ccc(OC)cc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-5-6-16-13-17(14-19(25-3)20(16)26-4)21(23)22-12-11-15-7-9-18(24-2)10-8-15/h5,7-10,13-14H,1,6,11-12H2,2-4H3,(H,22,23)
InChIKeyCNJQGWCQYUMRHK-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110930328
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55464623
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55847064
3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 18271704
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide (CID 31850269) is 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCc2ccc(OC)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide?
The InChIKey is CNJQGWCQYUMRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-6-16-13-17(14-19(25-3)20(16)26-4)21(23)22-12-11-15-7-9-18(24-2)10-8-15/h5,7-10,13-14H,1,6,11-12H2,2-4H3,(H,22,23).
What are the key properties of 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide has a molecular weight of 355.43 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide is sourced from PubChem (CID 31850269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).