N-(2,2-dimethoxyethyl)hexanamide

C10H21NO3 — CID 62968383

IUPACN-(2,2-dimethoxyethyl)hexanamide
SMILESCCCCCC(=O)NCC(OC)OC
InChIInChI=1S/C10H21NO3/c1-4-5-6-7-9(12)11-8-10(13-2)14-3/h10H,4-8H2,1-3H3,(H,11,12)
InChIKeyOPKITSBJPDSBJY-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.30
Rot. Bonds8

About N-(2,2-dimethoxyethyl)hexanamide

N-(2,2-dimethoxyethyl)hexanamide (PubChem CID 62968383) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)hexanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)hexanamide
PubChem CID62968383
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(2,2-dimethoxyethyl)hexanamide
SMILESCCCCCC(=O)NCC(OC)OC
InChIInChI=1S/C10H21NO3/c1-4-5-6-7-9(12)11-8-10(13-2)14-3/h10H,4-8H2,1-3H3,(H,11,12)
InChIKeyOPKITSBJPDSBJY-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)hexanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)hexanamide (CID 62968383) is N-(2,2-dimethoxyethyl)hexanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)hexanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)hexanamide is CCCCCC(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)hexanamide?
The InChIKey is OPKITSBJPDSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-6-7-9(12)11-8-10(13-2)14-3/h10H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-dimethoxyethyl)hexanamide?
N-(2,2-dimethoxyethyl)hexanamide has a molecular weight of 203.28 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)hexanamide is sourced from PubChem (CID 62968383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).