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

C10H21NO2 — CID 123296868

IUPACN-(2-methoxyethyl)-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCCOC
InChIInChI=1S/C10H21NO2/c1-5-6-10(2,3)9(12)11-7-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyLLFUNZBJAJVLOV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds6

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

N-(2-methoxyethyl)-2,2-dimethylpentanamide (PubChem CID 123296868) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethylpentanamide
PubChem CID123296868
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(2-methoxyethyl)-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCCOC
InChIInChI=1S/C10H21NO2/c1-5-6-10(2,3)9(12)11-7-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyLLFUNZBJAJVLOV-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze N-(2-methoxyethyl)-2,2-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethylpentanamide?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethylpentanamide (CID 123296868) is N-(2-methoxyethyl)-2,2-dimethylpentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethylpentanamide?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethylpentanamide?
The InChIKey is LLFUNZBJAJVLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-10(2,3)9(12)11-7-8-13-4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-(2-methoxyethyl)-2,2-dimethylpentanamide?
N-(2-methoxyethyl)-2,2-dimethylpentanamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethylpentanamide is sourced from PubChem (CID 123296868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).