1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide

C23H26N2O2 — CID 3752316

IUPAC1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCOCCCn1c(-c2ccc(-c3ccccc3)cc2)cc(C(N)=O)c1C
InChIInChI=1S/C23H26N2O2/c1-3-27-15-7-14-25-17(2)21(23(24)26)16-22(25)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H2,24,26)
InChIKeyROPZPBATBUXKQV-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.66
Rot. Bonds8

About 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide

1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide (PubChem CID 3752316) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
PubChem CID3752316
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCOCCCn1c(-c2ccc(-c3ccccc3)cc2)cc(C(N)=O)c1C
InChIInChI=1S/C23H26N2O2/c1-3-27-15-7-14-25-17(2)21(23(24)26)16-22(25)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H2,24,26)
InChIKeyROPZPBATBUXKQV-UHFFFAOYSA-N
XLogP4.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.66
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-(3-bromophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 5160999
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide
CID 3594528
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-(2-hydroxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 82085719
ethyl 2-methyl-1-[4-[(4-methylcyclohexyl)amino]-4-oxobutyl]-5-phenylpyrrole-3-carboxylate
CID 20969594
ethyl 1-(2,2-dimethoxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 132821654
ethyl 1-butyl-5-phenyl-2-propylpyrrole-3-carboxylate
CID 102196268

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide (CID 3752316) is 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide is CCOCCCn1c(-c2ccc(-c3ccccc3)cc2)cc(C(N)=O)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide?
The InChIKey is ROPZPBATBUXKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-27-15-7-14-25-17(2)21(23(24)26)16-22(25)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H2,24,26).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide?
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.66, 8 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-5-(4-phenylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3752316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).