N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H28N2O4 — CID 134053685

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CC(=O)N(CCc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-16(20-10-9-19(28-2)14-21(20)29-3)24-23(27)18-13-22(26)25(15-18)12-11-17-7-5-4-6-8-17/h4-10,14,16,18H,11-13,15H2,1-3H3,(H,24,27)
InChIKeyWABTWDJISHIUIO-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.97
Rot. Bonds8

About N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 134053685) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID134053685
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CC(=O)N(CCc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-16(20-10-9-19(28-2)14-21(20)29-3)24-23(27)18-13-22(26)25(15-18)12-11-17-7-5-4-6-8-17/h4-10,14,16,18H,11-13,15H2,1-3H3,(H,24,27)
InChIKeyWABTWDJISHIUIO-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 31401870
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 112762366
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
N-[1-(4-methylphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55577189
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184695
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7488559
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 134053685) is N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COc1ccc(C(C)NC(=O)C2CC(=O)N(CCc3ccccc3)C2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WABTWDJISHIUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(20-10-9-19(28-2)14-21(20)29-3)24-23(27)18-13-22(26)25(15-18)12-11-17-7-5-4-6-8-17/h4-10,14,16,18H,11-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 134053685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).