(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide

C14H24F3N3O — CID 99627727

IUPAC(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](N[C@H]2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C14H24F3N3O/c1-2-18-13(21)20-7-6-12(9-20)19-11-5-3-4-10(8-11)14(15,16)17/h10-12,19H,2-9H2,1H3,(H,18,21)/t10-,11-,12-/m0/s1
InChIKeyKTYZLQORCYOVIP-SRVKXCTJSA-N
MW307.36 g/mol
LogP2.50
Rot. Bonds3

About (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide

(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide (PubChem CID 99627727) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
PubChem CID99627727
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](N[C@H]2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C14H24F3N3O/c1-2-18-13(21)20-7-6-12(9-20)19-11-5-3-4-10(8-11)14(15,16)17/h10-12,19H,2-9H2,1H3,(H,18,21)/t10-,11-,12-/m0/s1
InChIKeyKTYZLQORCYOVIP-SRVKXCTJSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(4S)-1-cyclohexyl-4-propan-2-ylimidazolidin-2-one
CID 101965974
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469604
N-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 77657955
1-(2,2-Difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea
CID 88913096
1-Methyl-3-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)urea
CID 89616481
2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116012910
(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 118303120
2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 118303133
N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 123919640
8,8-Difluoro-1,3-diazaspiro[4.5]decan-2-one
CID 124169396
(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 124192462

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide (CID 99627727) is (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@H](N[C@H]2CCC[C@H](C(F)(F)F)C2)C1.
What is the InChIKey of (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is KTYZLQORCYOVIP-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-2-18-13(21)20-7-6-12(9-20)19-11-5-3-4-10(8-11)14(15,16)17/h10-12,19H,2-9H2,1H3,(H,18,21)/t10-,11-,12-/m0/s1.
What are the key properties of (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide?
(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99627727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).