N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide

C13H23F3N2O — CID 64756871

IUPACN-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCCCNC(=O)CCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-2-8-18-12(19)7-9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyFEQBZTBQKUEVLF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds6

About N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide

N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide (PubChem CID 64756871) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide
PubChem CID64756871
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCCCNC(=O)CCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-2-8-18-12(19)7-9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyFEQBZTBQKUEVLF-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758268
tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
CID 115607086
tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
CID 113242209
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
N-propyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propanamide
CID 79548705
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 95153501
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64757047
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide?
The IUPAC name of N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide (CID 64756871) is N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide.
What is the SMILES notation for N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide?
The canonical SMILES for N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide is CCCNC(=O)CCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide?
The InChIKey is FEQBZTBQKUEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-8-18-12(19)7-9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19).
What are the key properties of N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide?
N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 64756871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).