N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide

C14H24N2O — CID 141092323

IUPACN-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccn(C)c1
InChIInChI=1S/C14H24N2O/c1-4-6-7-12(5-2)10-15-14(17)13-8-9-16(3)11-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,15,17)
InChIKeyXELMZEWAEROXFD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.97
Rot. Bonds7

About N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide

N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide (PubChem CID 141092323) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide
PubChem CID141092323
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccn(C)c1
InChIInChI=1S/C14H24N2O/c1-4-6-7-12(5-2)10-15-14(17)13-8-9-16(3)11-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,15,17)
InChIKeyXELMZEWAEROXFD-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide (CID 141092323) is N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide is CCCCC(CC)CNC(=O)c1ccn(C)c1.
What is the InChIKey of N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is XELMZEWAEROXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-7-12(5-2)10-15-14(17)13-8-9-16(3)11-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,15,17).
What are the key properties of N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide?
N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 141092323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).