N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C11H20F3NO3 — CID 79204341

IUPACN-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C11H20F3NO3/c1-2-18-8-4-6-15(9-11(12,13)14)10(17)5-3-7-16/h16H,2-9H2,1H3
InChIKeyCVBHKPSTXQJAFX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.58
Rot. Bonds9

About N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79204341) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79204341
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C11H20F3NO3/c1-2-18-8-4-6-15(9-11(12,13)14)10(17)5-3-7-16/h16H,2-9H2,1H3
InChIKeyCVBHKPSTXQJAFX-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.58
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

4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145
2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227540
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 79204341) is N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CVBHKPSTXQJAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-2-18-8-4-6-15(9-11(12,13)14)10(17)5-3-7-16/h16H,2-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 271.28 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79204341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).