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

C12H25NO2 — CID 130272176

IUPACN-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide
SMILESCOCCNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-12(4,5)10(14)13-7-8-15-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyCMLFMTFJSYDEQC-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds5

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

N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide (PubChem CID 130272176) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide
PubChem CID130272176
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide
SMILESCOCCNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-12(4,5)10(14)13-7-8-15-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyCMLFMTFJSYDEQC-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
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)-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide (CID 130272176) is N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide is COCCNC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide?
The InChIKey is CMLFMTFJSYDEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)9-12(4,5)10(14)13-7-8-15-6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide?
N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 130272176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).