1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide

C23H26N2O3 — CID 42785432

IUPAC1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccccc2)n(-c2cccc(OC)c2)c1C
InChIInChI=1S/C23H26N2O3/c1-17-21(23(26)24-13-8-14-27-2)16-22(18-9-5-4-6-10-18)25(17)19-11-7-12-20(15-19)28-3/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,24,26)
InChIKeyWARPOVJZHSWSMY-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.23
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide

1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 42785432) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID42785432
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccccc2)n(-c2cccc(OC)c2)c1C
InChIInChI=1S/C23H26N2O3/c1-17-21(23(26)24-13-8-14-27-2)16-22(18-9-5-4-6-10-18)25(17)19-11-7-12-20(15-19)28-3/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,24,26)
InChIKeyWARPOVJZHSWSMY-UHFFFAOYSA-N
XLogP4.23
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7218711
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7231138
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 42785432) is 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide is COCCCNC(=O)c1cc(-c2ccccc2)n(-c2cccc(OC)c2)c1C.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is WARPOVJZHSWSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-21(23(26)24-13-8-14-27-2)16-22(18-9-5-4-6-10-18)25(17)19-11-7-12-20(15-19)28-3/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,24,26).
What are the key properties of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 42785432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).