2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide

C22H32N2O — CID 3481691

IUPAC2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1C(C)C(C)C
InChIInChI=1S/C22H32N2O/c1-6-7-9-14-19-21(18-12-10-8-11-13-18)20(22(23)25)17(5)24(19)16(4)15(2)3/h8,10-13,15-16H,6-7,9,14H2,1-5H3,(H2,23,25)
InChIKeySGDXFQISASPKOJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.51
Rot. Bonds8

About 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide

2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide (PubChem CID 3481691) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide
PubChem CID3481691
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1C(C)C(C)C
InChIInChI=1S/C22H32N2O/c1-6-7-9-14-19-21(18-12-10-8-11-13-18)20(22(23)25)17(5)24(19)16(4)15(2)3/h8,10-13,15-16H,6-7,9,14H2,1-5H3,(H2,23,25)
InChIKeySGDXFQISASPKOJ-UHFFFAOYSA-N
XLogP5.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.51
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide (CID 3481691) is 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide is CCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1C(C)C(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide?
The InChIKey is SGDXFQISASPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-6-7-9-14-19-21(18-12-10-8-11-13-18)20(22(23)25)17(5)24(19)16(4)15(2)3/h8,10-13,15-16H,6-7,9,14H2,1-5H3,(H2,23,25).
What are the key properties of 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide?
2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 3481691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).