N-(2,4,4-trimethylpentan-2-yl)propanamide

C11H23NO — CID 22749911

IUPACN-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKeyIYLFZLSQOLHGLH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.73
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)propanamide

N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 22749911) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID22749911
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKeyIYLFZLSQOLHGLH-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 22749911) is N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)propanamide is CCC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is IYLFZLSQOLHGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H,12,13).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)propanamide?
N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 185.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 22749911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).