2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide

C10H16N2O2 — CID 106509800

IUPAC2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C10H16N2O2/c1-10(2,14)9(13)11-6-8-4-5-12(3)7-8/h4-5,7,14H,6H2,1-3H3,(H,11,13)
InChIKeyHAFPTSVBWXYZBA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.41
Rot. Bonds3

About 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide

2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide (PubChem CID 106509800) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
PubChem CID106509800
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C10H16N2O2/c1-10(2,14)9(13)11-6-8-4-5-12(3)7-8/h4-5,7,14H,6H2,1-3H3,(H,11,13)
InChIKeyHAFPTSVBWXYZBA-UHFFFAOYSA-N
XLogP0.41
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 103814722
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668
2,2-dimethyl-N-[2-[[N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111991963
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
5-tert-butyl-N-[(1-methylpyrrol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106391213

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide (CID 106509800) is 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide is Cn1ccc(CNC(=O)C(C)(C)O)c1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
The InChIKey is HAFPTSVBWXYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,14)9(13)11-6-8-4-5-12(3)7-8/h4-5,7,14H,6H2,1-3H3,(H,11,13).
What are the key properties of 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide is sourced from PubChem (CID 106509800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).