N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide

C13H22N2O2 — CID 62518656

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(C)n1C
InChIInChI=1S/C13H22N2O2/c1-5-13(6-2,9-16)14-12(17)11-8-7-10(3)15(11)4/h7-8,16H,5-6,9H2,1-4H3,(H,14,17)
InChIKeyQLLKPALOWMCRNQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 62518656) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID62518656
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(C)n1C
InChIInChI=1S/C13H22N2O2/c1-5-13(6-2,9-16)14-12(17)11-8-7-10(3)15(11)4/h7-8,16H,5-6,9H2,1-4H3,(H,14,17)
InChIKeyQLLKPALOWMCRNQ-UHFFFAOYSA-N
XLogP1.61
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 64672444
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 43619096
N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide
CID 62520316
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-propylpyrrole-2-carboxamide
CID 114010730
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
CID 62517986
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469560

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide (CID 62518656) is N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide is CCC(CC)(CO)NC(=O)c1ccc(C)n1C.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is QLLKPALOWMCRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-13(6-2,9-16)14-12(17)11-8-7-10(3)15(11)4/h7-8,16H,5-6,9H2,1-4H3,(H,14,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 62518656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).