4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide

C11H18N2O — CID 2825283

IUPAC4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C)[nH]c(C(=O)N(C)C)c1C
InChIInChI=1S/C11H18N2O/c1-6-9-7(2)10(12-8(9)3)11(14)13(4)5/h12H,6H2,1-5H3
InChIKeyMCNDHWWSFSXHMJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds2

About 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide

4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide (PubChem CID 2825283) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide
PubChem CID2825283
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C)[nH]c(C(=O)N(C)C)c1C
InChIInChI=1S/C11H18N2O/c1-6-9-7(2)10(12-8(9)3)11(14)13(4)5/h12H,6H2,1-5H3
InChIKeyMCNDHWWSFSXHMJ-UHFFFAOYSA-N
XLogP1.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide (CID 2825283) is 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide is CCc1c(C)[nH]c(C(=O)N(C)C)c1C.
What is the InChIKey of 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide?
The InChIKey is MCNDHWWSFSXHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-9-7(2)10(12-8(9)3)11(14)13(4)5/h12H,6H2,1-5H3.
What are the key properties of 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide?
4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N,3,5-tetramethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2825283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).