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

C19H27N3O3 — CID 3219732

IUPAC1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-16-11-9-15(10-12-16)20-18(23)17-8-5-13-22(17)19(24)21-14-6-3-2-4-7-14/h9-12,14,17H,2-8,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyHFJUPCKSFUGRFM-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.14
Rot. Bonds4

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

1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219732) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219732
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-16-11-9-15(10-12-16)20-18(23)17-8-5-13-22(17)19(24)21-14-6-3-2-4-7-14/h9-12,14,17H,2-8,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyHFJUPCKSFUGRFM-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclohexyl-2-N-(4-methoxyphenyl)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-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3219732) is 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is HFJUPCKSFUGRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-16-11-9-15(10-12-16)20-18(23)17-8-5-13-22(17)19(24)21-14-6-3-2-4-7-14/h9-12,14,17H,2-8,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).