N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C22H32N2O5 — CID 22429067

IUPACN-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)c(OC)c1OC
InChIInChI=1S/C22H32N2O5/c1-22(21(26)23-16-7-5-6-8-16)13-11-18(25)24(22)14-12-15-9-10-17(27-2)20(29-4)19(15)28-3/h9-10,16H,5-8,11-14H2,1-4H3,(H,23,26)
InChIKeyBCMBGONPKAGRDL-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.69
Rot. Bonds8

About N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide

N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 22429067) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID22429067
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC NameN-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)c(OC)c1OC
InChIInChI=1S/C22H32N2O5/c1-22(21(26)23-16-7-5-6-8-16)13-11-18(25)24(22)14-12-15-9-10-17(27-2)20(29-4)19(15)28-3/h9-10,16H,5-8,11-14H2,1-4H3,(H,23,26)
InChIKeyBCMBGONPKAGRDL-UHFFFAOYSA-N
XLogP2.69
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 22429067) is N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)c(OC)c1OC.
What is the InChIKey of N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BCMBGONPKAGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-22(21(26)23-16-7-5-6-8-16)13-11-18(25)24(22)14-12-15-9-10-17(27-2)20(29-4)19(15)28-3/h9-10,16H,5-8,11-14H2,1-4H3,(H,23,26).
What are the key properties of N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22429067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).