N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide

C11H23NO3 — CID 126836522

IUPACN-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NC[C@H](O)CC
InChIInChI=1S/C11H23NO3/c1-3-5-6-7-15-9-11(14)12-8-10(13)4-2/h10,13H,3-9H2,1-2H3,(H,12,14)/t10-/m1/s1
InChIKeyWZXIZKYEHNZDDJ-SNVBAGLBSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds9

About N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide

N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide (PubChem CID 126836522) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide
PubChem CID126836522
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NC[C@H](O)CC
InChIInChI=1S/C11H23NO3/c1-3-5-6-7-15-9-11(14)12-8-10(13)4-2/h10,13H,3-9H2,1-2H3,(H,12,14)/t10-/m1/s1
InChIKeyWZXIZKYEHNZDDJ-SNVBAGLBSA-N
XLogP1.08
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 ≤ 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-(2,3-dihydroxypropyl)-2-propoxyacetamide
CID 107939672
2-decoxy-N-sulfanylacetamide
CID 150404301
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
CID 119639970
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
[10-[[3-(decanoylamino)-2-hydroxypropyl]amino]-10-oxodecyl] hexadecanoate
CID 147853760
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
CID 103771921

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide?
The IUPAC name of N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide (CID 126836522) is N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide?
The canonical SMILES for N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide is CCCCCOCC(=O)NC[C@H](O)CC.
What is the InChIKey of N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide?
The InChIKey is WZXIZKYEHNZDDJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-5-6-7-15-9-11(14)12-8-10(13)4-2/h10,13H,3-9H2,1-2H3,(H,12,14)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide?
N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide has a molecular weight of 217.31 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide is sourced from PubChem (CID 126836522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).