2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide

C18H23N2O2P — CID 59526415

IUPAC2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1CCP=O
InChIInChI=1S/C18H23N2O2P/c1-4-5-15-17(14-8-6-12(2)7-9-14)16(18(19)21)13(3)20(15)10-11-23-22/h6-9H,4-5,10-11H2,1-3H3,(H2,19,21)
InChIKeyQHIAEKHKVNEPSI-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.12
Rot. Bonds7

About 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide

2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide (PubChem CID 59526415) has the molecular formula C18H23N2O2P and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
PubChem CID59526415
Molecular FormulaC18H23N2O2P
Molecular Weight330.37 g/mol
Exact Mass330.15
IUPAC Name2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1CCP=O
InChIInChI=1S/C18H23N2O2P/c1-4-5-15-17(14-8-6-12(2)7-9-14)16(18(19)21)13(3)20(15)10-11-23-22/h6-9H,4-5,10-11H2,1-3H3,(H2,19,21)
InChIKeyQHIAEKHKVNEPSI-UHFFFAOYSA-N
XLogP4.12
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide (CID 59526415) is 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1CCP=O.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide?
The InChIKey is QHIAEKHKVNEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O2P/c1-4-5-15-17(14-8-6-12(2)7-9-14)16(18(19)21)13(3)20(15)10-11-23-22/h6-9H,4-5,10-11H2,1-3H3,(H2,19,21).
What are the key properties of 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide?
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 59526415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).