2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide

C21H26N2O4 — CID 60562617

IUPAC2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)Nc2ccc(C)cc2OC)c1
InChIInChI=1S/C21H26N2O4/c1-14-7-9-17(20(12-14)27-4)22-21(24)23-11-5-6-18(23)16-13-15(25-2)8-10-19(16)26-3/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyYFWXLSBCPRAXGF-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.39
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide

2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 60562617) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID60562617
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)Nc2ccc(C)cc2OC)c1
InChIInChI=1S/C21H26N2O4/c1-14-7-9-17(20(12-14)27-4)22-21(24)23-11-5-6-18(23)16-13-15(25-2)8-10-19(16)26-3/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyYFWXLSBCPRAXGF-UHFFFAOYSA-N
XLogP4.39
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide (CID 60562617) is 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide is COc1ccc(OC)c(C2CCCN2C(=O)Nc2ccc(C)cc2OC)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YFWXLSBCPRAXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-7-9-17(20(12-14)27-4)22-21(24)23-11-5-6-18(23)16-13-15(25-2)8-10-19(16)26-3/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60562617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).