2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide

C12H24F2N2O2 — CID 107485178

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCO)CC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-4-5-9(2)15-12(18)10(3)16(6-7-17)8-11(13)14/h9-11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyHYTZGFUQKOMABW-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.24
Rot. Bonds9

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide (PubChem CID 107485178) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
PubChem CID107485178
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCO)CC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-4-5-9(2)15-12(18)10(3)16(6-7-17)8-11(13)14/h9-11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyHYTZGFUQKOMABW-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
N-butan-2-yl-2-[butyl(2-hydroxyethyl)amino]propanamide
CID 62016390
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 62016068
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide (CID 107485178) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is HYTZGFUQKOMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-4-5-9(2)15-12(18)10(3)16(6-7-17)8-11(13)14/h9-11,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 266.33 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 107485178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).