1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

C19H27N3O2 — CID 3221254

IUPAC1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-14-7-5-10-16(13-14)20-18(23)17-11-6-12-22(17)19(24)21-15-8-3-2-4-9-15/h5,7,10,13,15,17H,2-4,6,8-9,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyOWFTZRKTBAHHLN-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds3

About 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3221254) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3221254
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-14-7-5-10-16(13-14)20-18(23)17-11-6-12-22(17)19(24)21-15-8-3-2-4-9-15/h5,7,10,13,15,17H,2-4,6,8-9,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyOWFTZRKTBAHHLN-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

Analyze 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide 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 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3221254) is 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is OWFTZRKTBAHHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-5-10-16(13-14)20-18(23)17-11-6-12-22(17)19(24)21-15-8-3-2-4-9-15/h5,7,10,13,15,17H,2-4,6,8-9,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(3-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-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).