1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide

C21H28N2O — CID 3869048

IUPAC1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-c1c(C(N)=O)c(C)n(CC2CCCCC2)c1C
InChIInChI=1S/C21H28N2O/c1-14-9-7-8-12-18(14)19-15(2)23(16(3)20(19)21(22)24)13-17-10-5-4-6-11-17/h7-9,12,17H,4-6,10-11,13H2,1-3H3,(H2,22,24)
InChIKeyHPBAVBQTXCWSNQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.76
Rot. Bonds4

About 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide

1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 3869048) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
PubChem CID3869048
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-c1c(C(N)=O)c(C)n(CC2CCCCC2)c1C
InChIInChI=1S/C21H28N2O/c1-14-9-7-8-12-18(14)19-15(2)23(16(3)20(19)21(22)24)13-17-10-5-4-6-11-17/h7-9,12,17H,4-6,10-11,13H2,1-3H3,(H2,22,24)
InChIKeyHPBAVBQTXCWSNQ-UHFFFAOYSA-N
XLogP4.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide (CID 3869048) is 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide is Cc1ccccc1-c1c(C(N)=O)c(C)n(CC2CCCCC2)c1C.
What is the InChIKey of 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is HPBAVBQTXCWSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-14-9-7-8-12-18(14)19-15(2)23(16(3)20(19)21(22)24)13-17-10-5-4-6-11-17/h7-9,12,17H,4-6,10-11,13H2,1-3H3,(H2,22,24).
What are the key properties of 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide?
1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3869048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).