3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide

C18H25F3N2O — CID 119794789

IUPAC3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-3-23(17(24)14-7-5-9-16(22)11-14)12(2)13-6-4-8-15(10-13)18(19,20)21/h4,6,8,10,12,14,16H,3,5,7,9,11,22H2,1-2H3
InChIKeyBXRISXMXOZUFSK-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.13
Rot. Bonds4

About 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide

3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 119794789) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
PubChem CID119794789
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-3-23(17(24)14-7-5-9-16(22)11-14)12(2)13-6-4-8-15(10-13)18(19,20)21/h4,6,8,10,12,14,16H,3,5,7,9,11,22H2,1-2H3
InChIKeyBXRISXMXOZUFSK-UHFFFAOYSA-N
XLogP4.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119807872
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
3-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119769323
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624126

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide (CID 119794789) is 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide is CCN(C(=O)C1CCCC(N)C1)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is BXRISXMXOZUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-3-23(17(24)14-7-5-9-16(22)11-14)12(2)13-6-4-8-15(10-13)18(19,20)21/h4,6,8,10,12,14,16H,3,5,7,9,11,22H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide?
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119794789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).