N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

C11H21NO3 — CID 103849519

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-10(13)12-8-11(14)6-7-15-9-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyPNZLLUQPTSLEQK-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds6

About N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (PubChem CID 103849519) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
PubChem CID103849519
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-10(13)12-8-11(14)6-7-15-9-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyPNZLLUQPTSLEQK-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (CID 103849519) is N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is CCCCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The InChIKey is PNZLLUQPTSLEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-10(13)12-8-11(14)6-7-15-9-11/h14H,2-9H2,1H3,(H,12,13).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide has a molecular weight of 215.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is sourced from PubChem (CID 103849519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).