1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

C21H25N3O2 — CID 3221243

IUPAC1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-5-9-17(10-6-15)14-22-20(25)19-4-3-13-24(19)21(26)23-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXMKBUBLGJDBLFD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.62
Rot. Bonds4

About 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3221243) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3221243
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-5-9-17(10-6-15)14-22-20(25)19-4-3-13-24(19)21(26)23-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXMKBUBLGJDBLFD-UHFFFAOYSA-N
XLogP3.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.62
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-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 3221243) is 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is XMKBUBLGJDBLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-5-9-17(10-6-15)14-22-20(25)19-4-3-13-24(19)21(26)23-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.62, 4 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-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).