5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide

C27H26N2O2 — CID 42665947

IUPAC5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)c3ccccc3)c(C)n2-c2ccccc2)c1
InChIInChI=1S/C27H26N2O2/c1-19(21-11-6-4-7-12-21)28-27(30)25-18-26(22-13-10-16-24(17-22)31-3)29(20(25)2)23-14-8-5-9-15-23/h4-19H,1-3H3,(H,28,30)
InChIKeyVMEPFEFJEKQDRK-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.95
Rot. Bonds6

About 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide

5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 42665947) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID42665947
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)c3ccccc3)c(C)n2-c2ccccc2)c1
InChIInChI=1S/C27H26N2O2/c1-19(21-11-6-4-7-12-21)28-27(30)25-18-26(22-13-10-16-24(17-22)31-3)29(20(25)2)23-14-8-5-9-15-23/h4-19H,1-3H3,(H,28,30)
InChIKeyVMEPFEFJEKQDRK-UHFFFAOYSA-N
XLogP5.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-N-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 4031989
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 4315211
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
[5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 42789172
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
5-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 92516432

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (CID 42665947) is 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide is COc1cccc(-c2cc(C(=O)NC(C)c3ccccc3)c(C)n2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is VMEPFEFJEKQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19(21-11-6-4-7-12-21)28-27(30)25-18-26(22-13-10-16-24(17-22)31-3)29(20(25)2)23-14-8-5-9-15-23/h4-19H,1-3H3,(H,28,30).
What are the key properties of 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42665947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).