1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C21H30N2O2 — CID 3748137

IUPAC1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(OC)cc2)c(C(N)=O)c(C)n1CCCC
InChIInChI=1S/C21H30N2O2/c1-5-7-9-18-20(16-10-12-17(25-4)13-11-16)19(21(22)24)15(3)23(18)14-8-6-2/h10-13H,5-9,14H2,1-4H3,(H2,22,24)
InChIKeyQTDCKSQOASWZTF-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.71
Rot. Bonds9

About 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3748137) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3748137
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(OC)cc2)c(C(N)=O)c(C)n1CCCC
InChIInChI=1S/C21H30N2O2/c1-5-7-9-18-20(16-10-12-17(25-4)13-11-16)19(21(22)24)15(3)23(18)14-8-6-2/h10-13H,5-9,14H2,1-4H3,(H2,22,24)
InChIKeyQTDCKSQOASWZTF-UHFFFAOYSA-N
XLogP4.71
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3766380
1,5-dibutyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3748147
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856
5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3696850
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3423935

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 3748137) is 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is CCCCc1c(-c2ccc(OC)cc2)c(C(N)=O)c(C)n1CCCC.
What is the InChIKey of 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is QTDCKSQOASWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-7-9-18-20(16-10-12-17(25-4)13-11-16)19(21(22)24)15(3)23(18)14-8-6-2/h10-13H,5-9,14H2,1-4H3,(H2,22,24).
What are the key properties of 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3748137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).