1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide

C14H22N2O2 — CID 114609625

IUPAC1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H22N2O2/c1-3-14(2,18)10-15-13(17)12-8-5-9-16(12)11-6-4-7-11/h5,8-9,11,18H,3-4,6-7,10H2,1-2H3,(H,15,17)
InChIKeyWHOVHUIUFWMJOA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide

1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide (PubChem CID 114609625) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
PubChem CID114609625
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H22N2O2/c1-3-14(2,18)10-15-13(17)12-8-5-9-16(12)11-6-4-7-11/h5,8-9,11,18H,3-4,6-7,10H2,1-2H3,(H,15,17)
InChIKeyWHOVHUIUFWMJOA-UHFFFAOYSA-N
XLogP2.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide (CID 114609625) is 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide is CCC(C)(O)CNC(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
The InChIKey is WHOVHUIUFWMJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(2,18)10-15-13(17)12-8-5-9-16(12)11-6-4-7-11/h5,8-9,11,18H,3-4,6-7,10H2,1-2H3,(H,15,17).
What are the key properties of 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).