1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide

C21H30N2O2 — CID 3505110

IUPAC1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccccc2C)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C21H30N2O2/c1-5-10-18-20(17-12-8-7-11-15(17)3)19(21(22)24)16(4)23(18)13-9-14-25-6-2/h7-8,11-12H,5-6,9-10,13-14H2,1-4H3,(H2,22,24)
InChIKeyOYKWROULLBXJHC-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.25
Rot. Bonds9

About 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide

1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide (PubChem CID 3505110) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
PubChem CID3505110
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccccc2C)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C21H30N2O2/c1-5-10-18-20(17-12-8-7-11-15(17)3)19(21(22)24)16(4)23(18)13-9-14-25-6-2/h7-8,11-12H,5-6,9-10,13-14H2,1-4H3,(H2,22,24)
InChIKeyOYKWROULLBXJHC-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
1-(3-hydroxypropyl)-2-methyl-4-(2-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 4678428
2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3863344
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3858610
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3857314
1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
CID 3869048

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide (CID 3505110) is 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccccc2C)c(C(N)=O)c(C)n1CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide?
The InChIKey is OYKWROULLBXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-10-18-20(17-12-8-7-11-15(17)3)19(21(22)24)16(4)23(18)13-9-14-25-6-2/h7-8,11-12H,5-6,9-10,13-14H2,1-4H3,(H2,22,24).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide?
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3505110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).