N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide

C12H22F3NO3 — CID 54994415

IUPACN-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)N(CCO)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-3-10(4-2)16(6-7-17)11(18)5-8-19-9-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyUFWXWGFUEPUGGG-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.96
Rot. Bonds9

About N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 54994415) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID54994415
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)N(CCO)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-3-10(4-2)16(6-7-17)11(18)5-8-19-9-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyUFWXWGFUEPUGGG-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573113
N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43573602
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43577193
N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54917438
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54925780
N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993977
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60831042
N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61235279
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylpropanamide
CID 61581081
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 61581990
N-(2-hydroxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 62334056
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutanamide
CID 65711166

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 54994415) is N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide is CCC(CC)N(CCO)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is UFWXWGFUEPUGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-3-10(4-2)16(6-7-17)11(18)5-8-19-9-12(13,14)15/h10,17H,3-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 54994415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).