5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C22H32N2O3 — CID 3870995

IUPAC5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccccc2OC)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C22H32N2O3/c1-5-7-12-18-21(17-11-8-9-13-19(17)26-4)20(22(23)25)16(3)24(18)14-10-15-27-6-2/h8-9,11,13H,5-7,10,12,14-15H2,1-4H3,(H2,23,25)
InChIKeyTULHEKJOYROIPP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.34
Rot. Bonds11

About 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide

5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3870995) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3870995
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccccc2OC)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C22H32N2O3/c1-5-7-12-18-21(17-11-8-9-13-19(17)26-4)20(22(23)25)16(3)24(18)14-10-15-27-6-2/h8-9,11,13H,5-7,10,12,14-15H2,1-4H3,(H2,23,25)
InChIKeyTULHEKJOYROIPP-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3858610
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
1-(3-hydroxypropyl)-2-methyl-4-(2-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 4678428
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3857314
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3457800
5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
CID 3608133

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 3870995) is 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide is CCCCc1c(-c2ccccc2OC)c(C(N)=O)c(C)n1CCCOCC.
What is the InChIKey of 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is TULHEKJOYROIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-7-12-18-21(17-11-8-9-13-19(17)26-4)20(22(23)25)16(3)24(18)14-10-15-27-6-2/h8-9,11,13H,5-7,10,12,14-15H2,1-4H3,(H2,23,25).
What are the key properties of 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3870995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).