2-ethyl-N,4,4-trimethylpentanamide;propane

C13H29NO — CID 144536587

IUPAC2-ethyl-N,4,4-trimethylpentanamide;propane
SMILESCCC.CCC(CC(C)(C)C)C(=O)NC
InChIInChI=1S/C10H21NO.C3H8/c1-6-8(9(12)11-5)7-10(2,3)4;1-3-2/h8H,6-7H2,1-5H3,(H,11,12);3H2,1-2H3
InChIKeyYGDCWVCPMIZNAG-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.61
Rot. Bonds3

About 2-ethyl-N,4,4-trimethylpentanamide;propane

2-ethyl-N,4,4-trimethylpentanamide;propane (PubChem CID 144536587) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-ethyl-N,4,4-trimethylpentanamide;propane.

Molecular Properties

Compound Name2-ethyl-N,4,4-trimethylpentanamide;propane
PubChem CID144536587
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-ethyl-N,4,4-trimethylpentanamide;propane
SMILESCCC.CCC(CC(C)(C)C)C(=O)NC
InChIInChI=1S/C10H21NO.C3H8/c1-6-8(9(12)11-5)7-10(2,3)4;1-3-2/h8H,6-7H2,1-5H3,(H,11,12);3H2,1-2H3
InChIKeyYGDCWVCPMIZNAG-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
CID 166866622
2-(hydroxymethyl)-N-methylbutanamide
CID 58973980
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methyltetradecanamide
CID 161072731
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
2-ethyl-N-methylbutanediamide
CID 89267144
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 163592368
2-dimethylphosphanyl-N,4,4-trimethylpentanamide
CID 139494250
(2R)-2-amino-N-methylbutanamide
CID 14888796
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,4,4-trimethylpentanamide;propane?
The IUPAC name of 2-ethyl-N,4,4-trimethylpentanamide;propane (CID 144536587) is 2-ethyl-N,4,4-trimethylpentanamide;propane.
What is the SMILES notation for 2-ethyl-N,4,4-trimethylpentanamide;propane?
The canonical SMILES for 2-ethyl-N,4,4-trimethylpentanamide;propane is CCC.CCC(CC(C)(C)C)C(=O)NC.
What is the InChIKey of 2-ethyl-N,4,4-trimethylpentanamide;propane?
The InChIKey is YGDCWVCPMIZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C3H8/c1-6-8(9(12)11-5)7-10(2,3)4;1-3-2/h8H,6-7H2,1-5H3,(H,11,12);3H2,1-2H3.
What are the key properties of 2-ethyl-N,4,4-trimethylpentanamide;propane?
2-ethyl-N,4,4-trimethylpentanamide;propane has a molecular weight of 215.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,4,4-trimethylpentanamide;propane is sourced from PubChem (CID 144536587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).