(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide

C17H24N2O2 — CID 125177259

IUPAC(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCCCC[C@@H]1C=CCN1C(=O)Nc1c(C)cccc1OC
InChIInChI=1S/C17H24N2O2/c1-4-5-9-14-10-7-12-19(14)17(20)18-16-13(2)8-6-11-15(16)21-3/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyOWAPCVXURINOOZ-CQSZACIVSA-N
MW288.39 g/mol
LogP3.97
Rot. Bonds5

About (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide

(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 125177259) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID125177259
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCCCC[C@@H]1C=CCN1C(=O)Nc1c(C)cccc1OC
InChIInChI=1S/C17H24N2O2/c1-4-5-9-14-10-7-12-19(14)17(20)18-16-13(2)8-6-11-15(16)21-3/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyOWAPCVXURINOOZ-CQSZACIVSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide (CID 125177259) is (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide is CCCC[C@@H]1C=CCN1C(=O)Nc1c(C)cccc1OC.
What is the InChIKey of (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is OWAPCVXURINOOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-9-14-10-7-12-19(14)17(20)18-16-13(2)8-6-11-15(16)21-3/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 125177259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).