2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide

C26H32N2O — CID 4992439

IUPAC2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1C(C)C
InChIInChI=1S/C26H32N2O/c1-5-6-8-13-23-25(24(26(27)29)19(4)28(23)18(2)3)22-16-14-21(15-17-22)20-11-9-7-10-12-20/h7,9-12,14-18H,5-6,8,13H2,1-4H3,(H2,27,29)
InChIKeyQXRYVKHVFOCDIQ-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.54
Rot. Bonds8

About 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide

2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 4992439) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID4992439
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1C(C)C
InChIInChI=1S/C26H32N2O/c1-5-6-8-13-23-25(24(26(27)29)19(4)28(23)18(2)3)22-16-14-21(15-17-22)20-11-9-7-10-12-20/h7,9-12,14-18H,5-6,8,13H2,1-4H3,(H2,27,29)
InChIKeyQXRYVKHVFOCDIQ-UHFFFAOYSA-N
XLogP6.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.54
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

2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3481691
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
CID 3832600
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3747323
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
1-cyclooctyl-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3870481
methyl 3-[4-carbamoyl-3-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]propanoate
CID 3675838
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide (CID 4992439) is 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide is CCCCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1C(C)C.
What is the InChIKey of 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is QXRYVKHVFOCDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-5-6-8-13-23-25(24(26(27)29)19(4)28(23)18(2)3)22-16-14-21(15-17-22)20-11-9-7-10-12-20/h7,9-12,14-18H,5-6,8,13H2,1-4H3,(H2,27,29).
What are the key properties of 2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide?
2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 6.54, 8 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-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 4992439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).