3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

C14H25F3N2O2 — CID 60854881

IUPAC3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCC(C)NCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-10(2)18-7-6-13(20)19-11-4-3-5-12(8-11)21-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyHTEYHLXBVPVQPZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.38
Rot. Bonds7

About 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 60854881) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID60854881
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCC(C)NCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-10(2)18-7-6-13(20)19-11-4-3-5-12(8-11)21-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyHTEYHLXBVPVQPZ-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 60854881) is 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is CC(C)NCCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is HTEYHLXBVPVQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-10(2)18-7-6-13(20)19-11-4-3-5-12(8-11)21-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 60854881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).