N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide

C13H22N2O — CID 63926258

IUPACN-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
SMILESCc1cn(CC(=O)NCC(C)C)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-9(2)6-14-13(16)8-15-7-10(3)11(4)12(15)5/h7,9H,6,8H2,1-5H3,(H,14,16)
InChIKeyOERPZBIMJSZMLK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.19
Rot. Bonds4

About N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide

N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide (PubChem CID 63926258) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
PubChem CID63926258
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
SMILESCc1cn(CC(=O)NCC(C)C)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-9(2)6-14-13(16)8-15-7-10(3)11(4)12(15)5/h7,9H,6,8H2,1-5H3,(H,14,16)
InChIKeyOERPZBIMJSZMLK-UHFFFAOYSA-N
XLogP2.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide (CID 63926258) is N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide is Cc1cn(CC(=O)NCC(C)C)c(C)c1C.
What is the InChIKey of N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
The InChIKey is OERPZBIMJSZMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)6-14-13(16)8-15-7-10(3)11(4)12(15)5/h7,9H,6,8H2,1-5H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide has a molecular weight of 222.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 63926258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).