1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide

C14H22N2O2 — CID 106120457

IUPAC1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
SMILESCC(O)CCCNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H22N2O2/c1-11(17)5-3-9-15-14(18)13-8-4-10-16(13)12-6-2-7-12/h4,8,10-12,17H,2-3,5-7,9H2,1H3,(H,15,18)
InChIKeyGBVODBHQEOFPGC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds6

About 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide

1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide (PubChem CID 106120457) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
PubChem CID106120457
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
SMILESCC(O)CCCNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H22N2O2/c1-11(17)5-3-9-15-14(18)13-8-4-10-16(13)12-6-2-7-12/h4,8,10-12,17H,2-3,5-7,9H2,1H3,(H,15,18)
InChIKeyGBVODBHQEOFPGC-UHFFFAOYSA-N
XLogP2.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-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

1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
6-[(1-cyclopropylpyrrole-2-carbonyl)amino]hexanoic acid
CID 43639266
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide (CID 106120457) is 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide is CC(O)CCCNC(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide?
The InChIKey is GBVODBHQEOFPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)5-3-9-15-14(18)13-8-4-10-16(13)12-6-2-7-12/h4,8,10-12,17H,2-3,5-7,9H2,1H3,(H,15,18).
What are the key properties of 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide?
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106120457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).