N-(2-methoxyethyl)-4,4-dimethylpentanamide

C10H21NO2 — CID 59170007

IUPACN-(2-methoxyethyl)-4,4-dimethylpentanamide
SMILESCOCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)6-5-9(12)11-7-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyBITMMFVCKKGGOI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds5

About N-(2-methoxyethyl)-4,4-dimethylpentanamide

N-(2-methoxyethyl)-4,4-dimethylpentanamide (PubChem CID 59170007) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,4-dimethylpentanamide
PubChem CID59170007
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(2-methoxyethyl)-4,4-dimethylpentanamide
SMILESCOCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)6-5-9(12)11-7-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyBITMMFVCKKGGOI-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methoxyethyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(2-methoxyethyl)-4,4-dimethylpentanamide (CID 59170007) is N-(2-methoxyethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(2-methoxyethyl)-4,4-dimethylpentanamide is COCCNC(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4,4-dimethylpentanamide?
The InChIKey is BITMMFVCKKGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)6-5-9(12)11-7-8-13-4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-(2-methoxyethyl)-4,4-dimethylpentanamide?
N-(2-methoxyethyl)-4,4-dimethylpentanamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 59170007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).