N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide

C11H23NO3 — CID 103713311

IUPACN-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)(O)CCC
InChIInChI=1S/C11H23NO3/c1-4-6-11(3,14)9-12-10(13)8-15-7-5-2/h14H,4-9H2,1-3H3,(H,12,13)
InChIKeyYHBRMCDZIYEMMA-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds8

About N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide

N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide (PubChem CID 103713311) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
PubChem CID103713311
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)(O)CCC
InChIInChI=1S/C11H23NO3/c1-4-6-11(3,14)9-12-10(13)8-15-7-5-2/h14H,4-9H2,1-3H3,(H,12,13)
InChIKeyYHBRMCDZIYEMMA-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.08
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-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
CID 107939067
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
2-methyl-1-propoxypentan-2-ol
CID 80558596
N-(2-ethyl-2-hydroxybutyl)-2-(2-methoxyethoxy)acetamide
CID 65113876
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propoxyacetamide
CID 103933314
4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide (CID 103713311) is N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide is CCCOCC(=O)NCC(C)(O)CCC.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide?
The InChIKey is YHBRMCDZIYEMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-11(3,14)9-12-10(13)8-15-7-5-2/h14H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide?
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide has a molecular weight of 217.31 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide is sourced from PubChem (CID 103713311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).