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

C13H27NO2 — CID 103028885

IUPAC2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCOC(C)(C)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(2,3)9-12(4,5)14-10(15)13(6,7)16-8/h9H2,1-8H3,(H,14,15)
InChIKeyCUYJXTQNHCKLDN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.74
Rot. Bonds4

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

2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 103028885) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID103028885
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCOC(C)(C)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(2,3)9-12(4,5)14-10(15)13(6,7)16-8/h9H2,1-8H3,(H,14,15)
InChIKeyCUYJXTQNHCKLDN-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 103028885) is 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is COC(C)(C)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is CUYJXTQNHCKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2,3)9-12(4,5)14-10(15)13(6,7)16-8/h9H2,1-8H3,(H,14,15).
What are the key properties of 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 229.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 103028885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).