N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide

C24H29N3O4 — CID 154872910

IUPACN-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(C)cc1C)NC(=O)CC1CCNC1=O
InChIInChI=1S/C24H29N3O4/c1-15-8-9-18(16(2)12-15)24(30)26-14-20(19-6-4-5-7-21(19)31-3)27-22(28)13-17-10-11-25-23(17)29/h4-9,12,17,20H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyJDLOUYSGSUGIPY-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.43
Rot. Bonds8

About N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide

N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide (PubChem CID 154872910) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide
PubChem CID154872910
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(C)cc1C)NC(=O)CC1CCNC1=O
InChIInChI=1S/C24H29N3O4/c1-15-8-9-18(16(2)12-15)24(30)26-14-20(19-6-4-5-7-21(19)31-3)27-22(28)13-17-10-11-25-23(17)29/h4-9,12,17,20H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyJDLOUYSGSUGIPY-UHFFFAOYSA-N
XLogP2.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide (CID 154872910) is N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide is COc1ccccc1C(CNC(=O)c1ccc(C)cc1C)NC(=O)CC1CCNC1=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide?
The InChIKey is JDLOUYSGSUGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15-8-9-18(16(2)12-15)24(30)26-14-20(19-6-4-5-7-21(19)31-3)27-22(28)13-17-10-11-25-23(17)29/h4-9,12,17,20H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide?
N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide has a molecular weight of 423.51 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-[[2-(2-oxopyrrolidin-3-yl)acetyl]amino]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 154872910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).