1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C19H27N3O2 — CID 3221253

IUPAC1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14-9-11-16(12-10-14)20-18(23)17-8-5-13-22(17)19(24)21-15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3,(H,20,23)(H,21,24)
InChIKeySQVBBOPHECRHMZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds3

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

1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3221253) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3221253
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14-9-11-16(12-10-14)20-18(23)17-8-5-13-22(17)19(24)21-15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3,(H,20,23)(H,21,24)
InChIKeySQVBBOPHECRHMZ-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3221253) is 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is SQVBBOPHECRHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-9-11-16(12-10-14)20-18(23)17-8-5-13-22(17)19(24)21-15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).