(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide

C17H23F3N2O — CID 119335838

IUPAC(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C17H23F3N2O/c1-12(21)15(23)22-11-16(8-3-2-4-9-16)13-6-5-7-14(10-13)17(18,19)20/h5-7,10,12H,2-4,8-9,11,21H2,1H3,(H,22,23)/t12-/m0/s1
InChIKeyJQXOHTXRTVOQFF-LBPRGKRZSA-N
MW328.38 g/mol
LogP3.37
Rot. Bonds4

About (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide

(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide (PubChem CID 119335838) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
PubChem CID119335838
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C17H23F3N2O/c1-12(21)15(23)22-11-16(8-3-2-4-9-16)13-6-5-7-14(10-13)17(18,19)20/h5-7,10,12H,2-4,8-9,11,21H2,1H3,(H,22,23)/t12-/m0/s1
InChIKeyJQXOHTXRTVOQFF-LBPRGKRZSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
CID 119805138
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide (CID 119335838) is (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide is C[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide?
The InChIKey is JQXOHTXRTVOQFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(21)15(23)22-11-16(8-3-2-4-9-16)13-6-5-7-14(10-13)17(18,19)20/h5-7,10,12H,2-4,8-9,11,21H2,1H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide?
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide has a molecular weight of 328.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide is sourced from PubChem (CID 119335838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).