2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide

C11H18N2O — CID 110716229

IUPAC2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCn1cccc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(14)12-6-9-13-7-4-5-8-13/h4-5,7-8H,6,9H2,1-3H3,(H,12,14)
InChIKeyFMEWPKPWCHTXAV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds3

About 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide

2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 110716229) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID110716229
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCn1cccc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(14)12-6-9-13-7-4-5-8-13/h4-5,7-8H,6,9H2,1-3H3,(H,12,14)
InChIKeyFMEWPKPWCHTXAV-UHFFFAOYSA-N
XLogP1.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide (CID 110716229) is 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide is CC(C)(C)C(=O)NCCn1cccc1.
What is the InChIKey of 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is FMEWPKPWCHTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10(14)12-6-9-13-7-4-5-8-13/h4-5,7-8H,6,9H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide?
2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 110716229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).