4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

C11H18N2O — CID 142183525

IUPAC4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCCc1c[nH]c(C(=O)NCC(C)C)c1
InChIInChI=1S/C11H18N2O/c1-4-9-5-10(12-7-9)11(14)13-6-8(2)3/h5,7-8,12H,4,6H2,1-3H3,(H,13,14)
InChIKeyHRJCGWDLWKQJSS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.96
Rot. Bonds4

About 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 142183525) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID142183525
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCCc1c[nH]c(C(=O)NCC(C)C)c1
InChIInChI=1S/C11H18N2O/c1-4-9-5-10(12-7-9)11(14)13-6-8(2)3/h5,7-8,12H,4,6H2,1-3H3,(H,13,14)
InChIKeyHRJCGWDLWKQJSS-UHFFFAOYSA-N
XLogP1.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
(2S)-3-[(4-ethyl-1H-pyrrole-2-carbonyl)amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 139424709
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 113404969
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
5-[(4-fluorophenyl)methoxy]-N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 42442742
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
(2R)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 94540993
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 123418828
4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 115589400

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 142183525) is 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is CCc1c[nH]c(C(=O)NCC(C)C)c1.
What is the InChIKey of 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HRJCGWDLWKQJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9-5-10(12-7-9)11(14)13-6-8(2)3/h5,7-8,12H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 142183525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).