N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide

C13H22N2O2 — CID 66178490

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cccn1C
InChIInChI=1S/C13H22N2O2/c1-10(2)8-13(3,17)9-14-12(16)11-6-5-7-15(11)4/h5-7,10,17H,8-9H2,1-4H3,(H,14,16)
InChIKeyWVGRUQUIDGNXOQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide (PubChem CID 66178490) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
PubChem CID66178490
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cccn1C
InChIInChI=1S/C13H22N2O2/c1-10(2)8-13(3,17)9-14-12(16)11-6-5-7-15(11)4/h5-7,10,17H,8-9H2,1-4H3,(H,14,16)
InChIKeyWVGRUQUIDGNXOQ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178501
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393614
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393615
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66172270

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide (CID 66178490) is N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide is CC(C)CC(C)(O)CNC(=O)c1cccn1C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is WVGRUQUIDGNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)8-13(3,17)9-14-12(16)11-6-5-7-15(11)4/h5-7,10,17H,8-9H2,1-4H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 66178490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).