4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide

C12H18N2O3 — CID 65109852

IUPAC4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC(C)(C)O)n(C)c1
InChIInChI=1S/C12H18N2O3/c1-8(15)9-5-10(14(4)6-9)11(16)13-7-12(2,3)17/h5-6,17H,7H2,1-4H3,(H,13,16)
InChIKeyZQTOSSULTRMICH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.73
Rot. Bonds4

About 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide

4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 65109852) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
PubChem CID65109852
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC(C)(C)O)n(C)c1
InChIInChI=1S/C12H18N2O3/c1-8(15)9-5-10(14(4)6-9)11(16)13-7-12(2,3)17/h5-6,17H,7H2,1-4H3,(H,13,16)
InChIKeyZQTOSSULTRMICH-UHFFFAOYSA-N
XLogP0.73
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107845337
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
ethyl 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47437604
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
CID 120832160
4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
CID 99773603
4-acetyl-N-[3-(2-hydroxyethoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 103993134
4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 63311485

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide (CID 65109852) is 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCC(C)(C)O)n(C)c1.
What is the InChIKey of 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is ZQTOSSULTRMICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(15)9-5-10(14(4)6-9)11(16)13-7-12(2,3)17/h5-6,17H,7H2,1-4H3,(H,13,16).
What are the key properties of 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65109852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).