3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide

C19H24F3NO3 — CID 43046830

IUPAC3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESC=CCc1cc(C(=O)NC2CCCCC2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C19H24F3NO3/c1-4-7-12-10-13(11-16(25-2)17(12)26-3)18(24)23-15-9-6-5-8-14(15)19(20,21)22/h4,10-11,14-15H,1,5-9H2,2-3H3,(H,23,24)
InChIKeyPMJPQMPJUNVLPK-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.28
Rot. Bonds6

About 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide

3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 43046830) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID43046830
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESC=CCc1cc(C(=O)NC2CCCCC2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C19H24F3NO3/c1-4-7-12-10-13(11-16(25-2)17(12)26-3)18(24)23-15-9-6-5-8-14(15)19(20,21)22/h4,10-11,14-15H,1,5-9H2,2-3H3,(H,23,24)
InChIKeyPMJPQMPJUNVLPK-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
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-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
N-(3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18276892
3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide
CID 75450076
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679
N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide
CID 112815511
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 43046830) is 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide is C=CCc1cc(C(=O)NC2CCCCC2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is PMJPQMPJUNVLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-4-7-12-10-13(11-16(25-2)17(12)26-3)18(24)23-15-9-6-5-8-14(15)19(20,21)22/h4,10-11,14-15H,1,5-9H2,2-3H3,(H,23,24).
What are the key properties of 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 43046830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).