4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide

C16H18N2O3 — CID 63311485

IUPAC4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2cccc(CO)c2)n(C)c1
InChIInChI=1S/C16H18N2O3/c1-11(20)14-7-15(18(2)9-14)16(21)17-8-12-4-3-5-13(6-12)10-19/h3-7,9,19H,8,10H2,1-2H3,(H,17,21)
InChIKeyRNTFQXNNVOQGAZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.65
Rot. Bonds5

About 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 63311485) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID63311485
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2cccc(CO)c2)n(C)c1
InChIInChI=1S/C16H18N2O3/c1-11(20)14-7-15(18(2)9-14)16(21)17-8-12-4-3-5-13(6-12)10-19/h3-7,9,19H,8,10H2,1-2H3,(H,17,21)
InChIKeyRNTFQXNNVOQGAZ-UHFFFAOYSA-N
XLogP1.65
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide
CID 103511327
4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 154837440
2-N,4-N-bis[(3,4-dihydroxyphenyl)methyl]-1-methylpyrrole-2,4-dicarboxamide
CID 67598436
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107845337
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide (CID 63311485) is 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCc2cccc(CO)c2)n(C)c1.
What is the InChIKey of 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RNTFQXNNVOQGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(20)14-7-15(18(2)9-14)16(21)17-8-12-4-3-5-13(6-12)10-19/h3-7,9,19H,8,10H2,1-2H3,(H,17,21).
What are the key properties of 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 63311485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).