4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide

C13H20N2O3 — CID 103933422

IUPAC4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C13H20N2O3/c1-8(16)9-6-10(14-7-9)11(17)15-12(2,3)13(4,5)18/h6-7,14,18H,1-5H3,(H,15,17)
InChIKeyOQTOGLYHYDDHLC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.50
Rot. Bonds4

About 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 103933422) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID103933422
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C13H20N2O3/c1-8(16)9-6-10(14-7-9)11(17)15-12(2,3)13(4,5)18/h6-7,14,18H,1-5H3,(H,15,17)
InChIKeyOQTOGLYHYDDHLC-UHFFFAOYSA-N
XLogP1.50
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 113354459
(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353042
4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 9083903
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
CID 109379514
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
[2-(tert-butylamino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385631
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 17442920

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide (CID 103933422) is 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OQTOGLYHYDDHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(16)9-6-10(14-7-9)11(17)15-12(2,3)13(4,5)18/h6-7,14,18H,1-5H3,(H,15,17).
What are the key properties of 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103933422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).