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

C24H30N2O5 — CID 22429078

IUPACN-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-24(23(28)25-16-17-8-6-5-7-9-17)14-12-20(27)26(24)15-13-18-10-11-19(29-2)22(31-4)21(18)30-3/h5-11H,12-16H2,1-4H3,(H,25,28)
InChIKeyAPSRTFUJTNSEHJ-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.95
Rot. Bonds9

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

N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 22429078) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID22429078
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-24(23(28)25-16-17-8-6-5-7-9-17)14-12-20(27)26(24)15-13-18-10-11-19(29-2)22(31-4)21(18)30-3/h5-11H,12-16H2,1-4H3,(H,25,28)
InChIKeyAPSRTFUJTNSEHJ-UHFFFAOYSA-N
XLogP2.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 22429078) is N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is APSRTFUJTNSEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-24(23(28)25-16-17-8-6-5-7-9-17)14-12-20(27)26(24)15-13-18-10-11-19(29-2)22(31-4)21(18)30-3/h5-11H,12-16H2,1-4H3,(H,25,28).
What are the key properties of N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-oxo-1-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22429078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).