1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C19H26N2O3 — CID 3858610

IUPAC1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCCOCCCn1c(C)c(C(N)=O)c(-c2ccccc2OC)c1C
InChIInChI=1S/C19H26N2O3/c1-5-24-12-8-11-21-13(2)17(18(14(21)3)19(20)22)15-9-6-7-10-16(15)23-4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H2,20,22)
InChIKeyCYAQUCLKJQAFDY-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.31
Rot. Bonds8

About 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 3858610) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID3858610
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCCOCCCn1c(C)c(C(N)=O)c(-c2ccccc2OC)c1C
InChIInChI=1S/C19H26N2O3/c1-5-24-12-8-11-21-13(2)17(18(14(21)3)19(20)22)15-9-6-7-10-16(15)23-4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H2,20,22)
InChIKeyCYAQUCLKJQAFDY-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.31
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

5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3457800
4-(2-methoxyphenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 4236636
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 3849913
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3508421
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 3858610) is 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is CCOCCCn1c(C)c(C(N)=O)c(-c2ccccc2OC)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is CYAQUCLKJQAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-24-12-8-11-21-13(2)17(18(14(21)3)19(20)22)15-9-6-7-10-16(15)23-4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H2,20,22).
What are the key properties of 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3858610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).