N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C15H19F3N2O2 — CID 119581655

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCC(CN)N(C)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9(8-19)20(2)14(21)12-7-11(12)10-5-3-4-6-13(10)22-15(16,17)18/h3-6,9,11-12H,7-8,19H2,1-2H3
InChIKeyXXODQNFNXFPLOZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.49
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 119581655) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID119581655
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCC(CN)N(C)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9(8-19)20(2)14(21)12-7-11(12)10-5-3-4-6-13(10)22-15(16,17)18/h3-6,9,11-12H,7-8,19H2,1-2H3
InChIKeyXXODQNFNXFPLOZ-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119954652
N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119585310
3-[methyl-[(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686663
3-[methyl-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686690
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111596715
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 120884853
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119193778
N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119582760
trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 95321749
2-[oxan-4-yl-[(1R,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 125151976
(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 119581655) is N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CC(CN)N(C)C(=O)C1CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XXODQNFNXFPLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9(8-19)20(2)14(21)12-7-11(12)10-5-3-4-6-13(10)22-15(16,17)18/h3-6,9,11-12H,7-8,19H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119581655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).