2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

C12H21F3N2O3 — CID 81082525

IUPAC2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCOCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O3/c1-19-6-10(16)11(18)17-8-3-2-4-9(5-8)20-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyVRNOWVCCYPCYHF-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.97
Rot. Bonds6

About 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 81082525) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID81082525
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCOCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O3/c1-19-6-10(16)11(18)17-8-3-2-4-9(5-8)20-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyVRNOWVCCYPCYHF-UHFFFAOYSA-N
XLogP0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 81082525) is 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is COCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is VRNOWVCCYPCYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-19-6-10(16)11(18)17-8-3-2-4-9(5-8)20-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide has a molecular weight of 298.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 81082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).