3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide

C21H24F3NO3 — CID 24621480

IUPAC3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCc1ccc2c(C)c(CCC(=O)NC3CCCC(C(F)(F)F)C3)c(=O)oc2c1
InChIInChI=1S/C21H24F3NO3/c1-12-6-7-16-13(2)17(20(27)28-18(16)10-12)8-9-19(26)25-15-5-3-4-14(11-15)21(22,23)24/h6-7,10,14-15H,3-5,8-9,11H2,1-2H3,(H,25,26)
InChIKeyIWHHMZMSTWCFNX-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.58
Rot. Bonds4

About 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide

3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 24621480) has the molecular formula C21H24F3NO3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID24621480
Molecular FormulaC21H24F3NO3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCc1ccc2c(C)c(CCC(=O)NC3CCCC(C(F)(F)F)C3)c(=O)oc2c1
InChIInChI=1S/C21H24F3NO3/c1-12-6-7-16-13(2)17(20(27)28-18(16)10-12)8-9-19(26)25-15-5-3-4-14(11-15)21(22,23)24/h6-7,10,14-15H,3-5,8-9,11H2,1-2H3,(H,25,26)
InChIKeyIWHHMZMSTWCFNX-UHFFFAOYSA-N
XLogP4.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
CID 38214090
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51932289
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 119455918
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 30480392
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24550294
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 18164949
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 41062204
N-(2-bromophenyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 17498930
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
4,7-dimethyl-3-[3-oxo-3-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]chromen-2-one
CID 51940941
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500

Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 24621480) is 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide is Cc1ccc2c(C)c(CCC(=O)NC3CCCC(C(F)(F)F)C3)c(=O)oc2c1.
What is the InChIKey of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is IWHHMZMSTWCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO3/c1-12-6-7-16-13(2)17(20(27)28-18(16)10-12)8-9-19(26)25-15-5-3-4-14(11-15)21(22,23)24/h6-7,10,14-15H,3-5,8-9,11H2,1-2H3,(H,25,26).
What are the key properties of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 395.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 24621480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).