1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide

C16H18N2O2 — CID 114609401

IUPAC1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cccn1C1CCC1
InChIInChI=1S/C16H18N2O2/c19-14-8-6-12(7-9-14)11-17-16(20)15-5-2-10-18(15)13-3-1-4-13/h2,5-10,13,19H,1,3-4,11H2,(H,17,20)
InChIKeyGLOMEKQHESGCEX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.85
Rot. Bonds4

About 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 114609401) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
PubChem CID114609401
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cccn1C1CCC1
InChIInChI=1S/C16H18N2O2/c19-14-8-6-12(7-9-14)11-17-16(20)15-5-2-10-18(15)13-3-1-4-13/h2,5-10,13,19H,1,3-4,11H2,(H,17,20)
InChIKeyGLOMEKQHESGCEX-UHFFFAOYSA-N
XLogP2.85
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114609252
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide (CID 114609401) is 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide is O=C(NCc1ccc(O)cc1)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is GLOMEKQHESGCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-14-8-6-12(7-9-14)11-17-16(20)15-5-2-10-18(15)13-3-1-4-13/h2,5-10,13,19H,1,3-4,11H2,(H,17,20).
What are the key properties of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114609401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).