2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C15H23F3N2O — CID 84584123

IUPAC2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=CCN(CC=C)CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O/c1-3-9-20(10-4-2)11-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h3-4,12-13H,1-2,5-11H2,(H,19,21)
InChIKeyMHBQTYYTURLDRY-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.90
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 84584123) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID84584123
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=CCN(CC=C)CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O/c1-3-9-20(10-4-2)11-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h3-4,12-13H,1-2,5-11H2,(H,19,21)
InChIKeyMHBQTYYTURLDRY-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N'-(2-methylcyclohexyl)ethanediamide
CID 2954922
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
CID 119324158
2-[2-Methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
CID 33362611
2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 43424811
N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
CID 43701258
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058
2-(butan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 54920750
2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 54924685
2-amino-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
CID 54928616
2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 55097092
N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
CID 56788606
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
CID 56818074

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 84584123) is 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide is C=CCN(CC=C)CC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is MHBQTYYTURLDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-9-20(10-4-2)11-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h3-4,12-13H,1-2,5-11H2,(H,19,21).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 304.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 84584123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).