3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide

C20H29NO3 — CID 112815511

IUPAC3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)N(C)C2CCCCC2C)cc(OC)c1OC
InChIInChI=1S/C20H29NO3/c1-6-9-15-12-16(13-18(23-4)19(15)24-5)20(22)21(3)17-11-8-7-10-14(17)2/h6,12-14,17H,1,7-11H2,2-5H3
InChIKeyYSHXPSNFKSRYDI-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.08
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide (PubChem CID 112815511) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide
PubChem CID112815511
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)N(C)C2CCCCC2C)cc(OC)c1OC
InChIInChI=1S/C20H29NO3/c1-6-9-15-12-16(13-18(23-4)19(15)24-5)20(22)21(3)17-11-8-7-10-14(17)2/h6,12-14,17H,1,7-11H2,2-5H3
InChIKeyYSHXPSNFKSRYDI-UHFFFAOYSA-N
XLogP4.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxy-5-prop-2-enylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 71927979
3,5-dihydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103891881
3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046830
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
CID 18118239
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
N-(3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18276892
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-[(5-bromo-2-fluorophenyl)methyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
CID 55580184
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
(3R,4R)-4-cyclopropyl-1-(3,4-dimethoxy-5-prop-2-enylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120978433

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide (CID 112815511) is 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)N(C)C2CCCCC2C)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide?
The InChIKey is YSHXPSNFKSRYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-6-9-15-12-16(13-18(23-4)19(15)24-5)20(22)21(3)17-11-8-7-10-14(17)2/h6,12-14,17H,1,7-11H2,2-5H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 112815511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).