2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide

C25H30N2O — CID 3815467

IUPAC2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1CCc1ccccc1
InChIInChI=1S/C25H30N2O/c1-3-4-7-16-22-24(21-14-10-6-11-15-21)23(25(26)28)19(2)27(22)18-17-20-12-8-5-9-13-20/h5-6,8-15H,3-4,7,16-18H2,1-2H3,(H2,26,28)
InChIKeyBHHRBRBGSLUMOU-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.54
Rot. Bonds9

About 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide

2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide (PubChem CID 3815467) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
PubChem CID3815467
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1CCc1ccccc1
InChIInChI=1S/C25H30N2O/c1-3-4-7-16-22-24(21-14-10-6-11-15-21)23(25(26)28)19(2)27(22)18-17-20-12-8-5-9-13-20/h5-6,8-15H,3-4,7,16-18H2,1-2H3,(H2,26,28)
InChIKeyBHHRBRBGSLUMOU-UHFFFAOYSA-N
XLogP5.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 4992439
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856
methyl 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3711390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide (CID 3815467) is 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide is CCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1CCc1ccccc1.
What is the InChIKey of 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is BHHRBRBGSLUMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-3-4-7-16-22-24(21-14-10-6-11-15-21)23(25(26)28)19(2)27(22)18-17-20-12-8-5-9-13-20/h5-6,8-15H,3-4,7,16-18H2,1-2H3,(H2,26,28).
What are the key properties of 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3815467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).