N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C13H22N2O2 — CID 64555639

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cccn1C(C)C
InChIInChI=1S/C13H22N2O2/c1-5-13(4,9-16)14-12(17)11-7-6-8-15(11)10(2)3/h6-8,10,16H,5,9H2,1-4H3,(H,14,17)
InChIKeyXBQRVRXOVGGMKQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.96
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64555639) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64555639
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cccn1C(C)C
InChIInChI=1S/C13H22N2O2/c1-5-13(4,9-16)14-12(17)11-7-6-8-15(11)10(2)3/h6-8,10,16H,5,9H2,1-4H3,(H,14,17)
InChIKeyXBQRVRXOVGGMKQ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114208054
N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 64794309
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
N-(1-hydroxy-2-methylbutan-2-yl)-2-(propan-2-ylamino)benzamide
CID 64549729
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 64555951
2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-2-yl)ethanone
CID 45081000
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 12948787
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 64555639) is N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CCC(C)(CO)NC(=O)c1cccn1C(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XBQRVRXOVGGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-13(4,9-16)14-12(17)11-7-6-8-15(11)10(2)3/h6-8,10,16H,5,9H2,1-4H3,(H,14,17).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64555639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).