4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide

C16H33NO2 — CID 168959505

IUPAC4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide
SMILESCCCC(C)(CC)CNC(=O)C(C)(C)CCOCC
InChIInChI=1S/C16H33NO2/c1-7-10-16(6,8-2)13-17-14(18)15(4,5)11-12-19-9-3/h7-13H2,1-6H3,(H,17,18)
InChIKeyQCVOXGLXAWIYMJ-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.77
Rot. Bonds10

About 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide

4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide (PubChem CID 168959505) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide
PubChem CID168959505
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide
SMILESCCCC(C)(CC)CNC(=O)C(C)(C)CCOCC
InChIInChI=1S/C16H33NO2/c1-7-10-16(6,8-2)13-17-14(18)15(4,5)11-12-19-9-3/h7-13H2,1-6H3,(H,17,18)
InChIKeyQCVOXGLXAWIYMJ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.77
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 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide (CID 168959505) is 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide is CCCC(C)(CC)CNC(=O)C(C)(C)CCOCC.
What is the InChIKey of 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide?
The InChIKey is QCVOXGLXAWIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-10-16(6,8-2)13-17-14(18)15(4,5)11-12-19-9-3/h7-13H2,1-6H3,(H,17,18).
What are the key properties of 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide?
4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide has a molecular weight of 271.44 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 168959505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).