N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C12H21F3N2O2 — CID 106180190

IUPACN-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCC(CN)NC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-19-7-10(6-16)17-11(18)8-2-4-9(5-3-8)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyZBVOOKXSXAVOOZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.45
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106180190) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106180190
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCC(CN)NC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-19-7-10(6-16)17-11(18)8-2-4-9(5-3-8)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyZBVOOKXSXAVOOZ-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106180190) is N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is COCC(CN)NC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ZBVOOKXSXAVOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-19-7-10(6-16)17-11(18)8-2-4-9(5-3-8)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106180190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).