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

C13H27NO — CID 2726026

IUPAC2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)9-13(7,8)14-10(15)12(4,5)6/h9H2,1-8H3,(H,14,15)
InChIKeyHOQVROVBAKULMS-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.36
Rot. Bonds2

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

2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 2726026) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID2726026
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)9-13(7,8)14-10(15)12(4,5)6/h9H2,1-8H3,(H,14,15)
InChIKeyHOQVROVBAKULMS-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 2726026) is 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is HOQVROVBAKULMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2,3)9-13(7,8)14-10(15)12(4,5)6/h9H2,1-8H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 213.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 2726026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).