2,2,4-trimethyl-N-propan-2-ylpentanamide

C11H23NO — CID 126707660

IUPAC2,2,4-trimethyl-N-propan-2-ylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NC(C)C
InChIInChI=1S/C11H23NO/c1-8(2)7-11(5,6)10(13)12-9(3)4/h8-9H,7H2,1-6H3,(H,12,13)
InChIKeyKOQNPHQIYMATMX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.58
Rot. Bonds4

About 2,2,4-trimethyl-N-propan-2-ylpentanamide

2,2,4-trimethyl-N-propan-2-ylpentanamide (PubChem CID 126707660) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-N-propan-2-ylpentanamide
PubChem CID126707660
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,2,4-trimethyl-N-propan-2-ylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NC(C)C
InChIInChI=1S/C11H23NO/c1-8(2)7-11(5,6)10(13)12-9(3)4/h8-9H,7H2,1-6H3,(H,12,13)
InChIKeyKOQNPHQIYMATMX-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
N',2,2,4-tetramethylpentanehydrazide
CID 116847123
2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide
CID 141082926
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
(3S)-3-amino-4-oxo-4-[[(1R)-1-(2,2,4-trimethylpentanoylamino)ethyl]amino]butanoic acid
CID 18601643
3,3,5-trimethylhexan-2-one
CID 2776079
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
CID 119666304
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide
CID 178050151
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
CID 119431228
2,2-dimethyl-N-propan-2-yl-4-propoxybutanamide
CID 174322998

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 2,2,4-trimethyl-N-propan-2-ylpentanamide (CID 126707660) is 2,2,4-trimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2,2,4-trimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2,2,4-trimethyl-N-propan-2-ylpentanamide is CC(C)CC(C)(C)C(=O)NC(C)C.
What is the InChIKey of 2,2,4-trimethyl-N-propan-2-ylpentanamide?
The InChIKey is KOQNPHQIYMATMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)7-11(5,6)10(13)12-9(3)4/h8-9H,7H2,1-6H3,(H,12,13).
What are the key properties of 2,2,4-trimethyl-N-propan-2-ylpentanamide?
2,2,4-trimethyl-N-propan-2-ylpentanamide has a molecular weight of 185.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 126707660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).