N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide

C12H20N2O2 — CID 66107997

IUPACN-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)CCO)n1C
InChIInChI=1S/C12H20N2O2/c1-9(6-7-15)8-13-12(16)11-5-4-10(2)14(11)3/h4-5,9,15H,6-8H2,1-3H3,(H,13,16)
InChIKeyDWTRMLOCPBXONY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide

N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 66107997) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID66107997
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)CCO)n1C
InChIInChI=1S/C12H20N2O2/c1-9(6-7-15)8-13-12(16)11-5-4-10(2)14(11)3/h4-5,9,15H,6-8H2,1-3H3,(H,13,16)
InChIKeyDWTRMLOCPBXONY-UHFFFAOYSA-N
XLogP1.08
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63732838
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 119526933
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560
(3S)-3-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494915
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 66106842
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide (CID 66107997) is N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NCC(C)CCO)n1C.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is DWTRMLOCPBXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(6-7-15)8-13-12(16)11-5-4-10(2)14(11)3/h4-5,9,15H,6-8H2,1-3H3,(H,13,16).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide?
N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 66107997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).