N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide

C14H25F3N2O — CID 64754869

IUPACN,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-4-19(5-2)13(20)10(3)18-12-8-6-11(7-9-12)14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyXPMPMLUYEVHOFG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.95
Rot. Bonds5

About N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide

N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide (PubChem CID 64754869) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide
PubChem CID64754869
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-4-19(5-2)13(20)10(3)18-12-8-6-11(7-9-12)14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyXPMPMLUYEVHOFG-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
2-[(4-tert-butylcyclohexyl)amino]-N-ethyl-N-methylpropanamide
CID 103107530
N,N-diethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43739392
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
CID 43628998
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
2-(cyclobutylamino)-N-ethyl-N-methylpropanamide
CID 103108088

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide (CID 64754869) is N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide is CCN(CC)C(=O)C(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide?
The InChIKey is XPMPMLUYEVHOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-4-19(5-2)13(20)10(3)18-12-8-6-11(7-9-12)14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide?
N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide has a molecular weight of 294.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 64754869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).