4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide

C11H21NO3 — CID 114469554

IUPAC4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
SMILESC=C(C)COCCNC(=O)CCC(C)O
InChIInChI=1S/C11H21NO3/c1-9(2)8-15-7-6-12-11(14)5-4-10(3)13/h10,13H,1,4-8H2,2-3H3,(H,12,14)
InChIKeyLDCFSTAQFJAFRA-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.86
Rot. Bonds8

About 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide

4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide (PubChem CID 114469554) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
PubChem CID114469554
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
SMILESC=C(C)COCCNC(=O)CCC(C)O
InChIInChI=1S/C11H21NO3/c1-9(2)8-15-7-6-12-11(14)5-4-10(3)13/h10,13H,1,4-8H2,2-3H3,(H,12,14)
InChIKeyLDCFSTAQFJAFRA-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide (CID 114469554) is 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide is C=C(C)COCCNC(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
The InChIKey is LDCFSTAQFJAFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)8-15-7-6-12-11(14)5-4-10(3)13/h10,13H,1,4-8H2,2-3H3,(H,12,14).
What are the key properties of 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide has a molecular weight of 215.29 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide is sourced from PubChem (CID 114469554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).