N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide

C11H23NO3 — CID 103771921

IUPACN-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(CC)CCO
InChIInChI=1S/C11H23NO3/c1-3-7-15-9-11(14)12-8-10(4-2)5-6-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeySWPKHIIJQYGACU-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds9

About N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide

N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide (PubChem CID 103771921) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
PubChem CID103771921
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(CC)CCO
InChIInChI=1S/C11H23NO3/c1-3-7-15-9-11(14)12-8-10(4-2)5-6-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeySWPKHIIJQYGACU-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113254236
N-(2,3-dihydroxypropyl)-2-propoxyacetamide
CID 107939672
N-[2-(methylamino)propyl]-2-propoxyacetamide
CID 107938536
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
CID 106117629
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443379
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
ethane;N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443378
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide (CID 103771921) is N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide is CCCOCC(=O)NCC(CC)CCO.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide?
The InChIKey is SWPKHIIJQYGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-7-15-9-11(14)12-8-10(4-2)5-6-13/h10,13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide?
N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide has a molecular weight of 217.31 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide is sourced from PubChem (CID 103771921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).