2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride

C12H22ClF3N2O2 — CID 120992063

IUPAC2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1CCCC(C(F)(F)F)C1.Cl
InChIInChI=1S/C12H21F3N2O2.ClH/c1-19-7-10(16)11(18)17-6-8-3-2-4-9(5-8)12(13,14)15;/h8-10H,2-7,16H2,1H3,(H,17,18);1H
InChIKeyUNOBGACVJVZEBC-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride (PubChem CID 120992063) has the molecular formula C12H22ClF3N2O2 and a molecular weight of 318.77 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
PubChem CID120992063
Molecular FormulaC12H22ClF3N2O2
Molecular Weight318.77 g/mol
Exact Mass318.13
IUPAC Name2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1CCCC(C(F)(F)F)C1.Cl
InChIInChI=1S/C12H21F3N2O2.ClH/c1-19-7-10(16)11(18)17-6-8-3-2-4-9(5-8)12(13,14)15;/h8-10H,2-7,16H2,1H3,(H,17,18);1H
InChIKeyUNOBGACVJVZEBC-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 67953222
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide
CID 118349038
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
2-amino-N-(3-ethylcyclohexyl)-3-methoxypropanamide;hydrochloride
CID 120990597
(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
CID 81100896
3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
CID 64895471
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride (CID 120992063) is 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride is COCC(N)C(=O)NCC1CCCC(C(F)(F)F)C1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride?
The InChIKey is UNOBGACVJVZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2.ClH/c1-19-7-10(16)11(18)17-6-8-3-2-4-9(5-8)12(13,14)15;/h8-10H,2-7,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride has a molecular weight of 318.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120992063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).