3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

C13H24F2N2O2 — CID 107487308

IUPAC3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESNC1CCC(CCC(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C13H24F2N2O2/c14-12(15)9-17(7-8-18)13(19)6-3-10-1-4-11(16)5-2-10/h10-12,18H,1-9,16H2
InChIKeyHPJDSYBYWYHMRF-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.37
Rot. Bonds7

About 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 107487308) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID107487308
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESNC1CCC(CCC(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C13H24F2N2O2/c14-12(15)9-17(7-8-18)13(19)6-3-10-1-4-11(16)5-2-10/h10-12,18H,1-9,16H2
InChIKeyHPJDSYBYWYHMRF-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (CID 107487308) is 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is NC1CCC(CCC(=O)N(CCO)CC(F)F)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is HPJDSYBYWYHMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c14-12(15)9-17(7-8-18)13(19)6-3-10-1-4-11(16)5-2-10/h10-12,18H,1-9,16H2.
What are the key properties of 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 107487308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).