1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H29N3O4 — CID 3219741

IUPAC1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H29N3O4/c1-26-15-10-11-18(27-2)16(13-15)22-19(24)17-9-6-12-23(17)20(25)21-14-7-4-3-5-8-14/h10-11,13-14,17H,3-9,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyHCDYOSSYHIOXSW-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.15
Rot. Bonds5

About 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219741) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219741
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H29N3O4/c1-26-15-10-11-18(27-2)16(13-15)22-19(24)17-9-6-12-23(17)20(25)21-14-7-4-3-5-8-14/h10-11,13-14,17H,3-9,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyHCDYOSSYHIOXSW-UHFFFAOYSA-N
XLogP3.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3219741) is 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(OC)c(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is HCDYOSSYHIOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-15-10-11-18(27-2)16(13-15)22-19(24)17-9-6-12-23(17)20(25)21-14-7-4-3-5-8-14/h10-11,13-14,17H,3-9,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).