N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H23F3N2O — CID 63709696

IUPACN-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H23F3N2O/c1-19(9-11-5-3-2-4-6-11)12(20)13(14(15,16)17)7-8-18-10-13/h11,18H,2-10H2,1H3
InChIKeyNRKPLQSETJCEMC-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds3

About N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709696) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709696
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC NameN-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H23F3N2O/c1-19(9-11-5-3-2-4-6-11)12(20)13(14(15,16)17)7-8-18-10-13/h11,18H,2-10H2,1H3
InChIKeyNRKPLQSETJCEMC-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719753
N-[(4,4-difluorocyclohexyl)methyl]-N-methyl-4-(trifluoromethyl)piperidine-4-carboxamide
CID 176759241
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
N-(cyclobutylmethyl)-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63142224
N-(cyclohexylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119704445
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
N-(cyclopentylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119759240
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63720627

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709696) is N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(CC1CCCCC1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NRKPLQSETJCEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-19(9-11-5-3-2-4-6-11)12(20)13(14(15,16)17)7-8-18-10-13/h11,18H,2-10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).