1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide

C22H27N3O2 — CID 3221233

IUPAC1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H27N3O2/c1-14-7-9-18(10-8-14)23-22(27)25-11-5-6-19(25)21(26)24-20-16(3)12-15(2)13-17(20)4/h7-10,12-13,19H,5-6,11H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyIXKLAYOAYRZBMP-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.56
Rot. Bonds3

About 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3221233) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3221233
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H27N3O2/c1-14-7-9-18(10-8-14)23-22(27)25-11-5-6-19(25)21(26)24-20-16(3)12-15(2)13-17(20)4/h7-10,12-13,19H,5-6,11H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyIXKLAYOAYRZBMP-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3221233) is 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is IXKLAYOAYRZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14-7-9-18(10-8-14)23-22(27)25-11-5-6-19(25)21(26)24-20-16(3)12-15(2)13-17(20)4/h7-10,12-13,19H,5-6,11H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).