1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide

C27H26N2O2 — CID 3491439

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCOc1ccccc1CCn1c(C)c(C(N)=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-19-24(27(28)30)25(21-12-5-3-6-13-21)26(22-14-7-4-8-15-22)29(19)18-17-20-11-9-10-16-23(20)31-2/h3-16H,17-18H2,1-2H3,(H2,28,30)
InChIKeyQRBSSBRZXLGBDD-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.48
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide

1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (PubChem CID 3491439) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
PubChem CID3491439
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCOc1ccccc1CCn1c(C)c(C(N)=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-19-24(27(28)30)25(21-12-5-3-6-13-21)26(22-14-7-4-8-15-22)29(19)18-17-20-11-9-10-16-23(20)31-2/h3-16H,17-18H2,1-2H3,(H2,28,30)
InChIKeyQRBSSBRZXLGBDD-UHFFFAOYSA-N
XLogP5.48
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide
CID 3697692
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3814503
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3457800
4-(4-tert-butylphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3740985
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3781030
2-[[4-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106262014
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (CID 3491439) is 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is COc1ccccc1CCn1c(C)c(C(N)=O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The InChIKey is QRBSSBRZXLGBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19-24(27(28)30)25(21-12-5-3-6-13-21)26(22-14-7-4-8-15-22)29(19)18-17-20-11-9-10-16-23(20)31-2/h3-16H,17-18H2,1-2H3,(H2,28,30).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 3491439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).