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

C17H20N2O2 — CID 114609355

IUPAC1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C17H20N2O2/c1-18(12-13-7-9-15(20)10-8-13)17(21)16-6-3-11-19(16)14-4-2-5-14/h3,6-11,14,20H,2,4-5,12H2,1H3
InChIKeyQPNQNNYZVVJQPV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds4

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

1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 114609355) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID114609355
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C17H20N2O2/c1-18(12-13-7-9-15(20)10-8-13)17(21)16-6-3-11-19(16)14-4-2-5-14/h3,6-11,14,20H,2,4-5,12H2,1H3
InChIKeyQPNQNNYZVVJQPV-UHFFFAOYSA-N
XLogP3.19
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
CID 114609917
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61044229
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 110011714
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
1-cyclobutyl-N-methyl-N-(morpholin-2-ylmethyl)pyrrole-2-carboxamide
CID 114610561
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (CID 114609355) is 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is CN(Cc1ccc(O)cc1)C(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is QPNQNNYZVVJQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18(12-13-7-9-15(20)10-8-13)17(21)16-6-3-11-19(16)14-4-2-5-14/h3,6-11,14,20H,2,4-5,12H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).