N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide

C25H30N2O6 — CID 660763

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide
SMILESCCOc1cccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)CC)C2=O)c1
InChIInChI=1S/C25H30N2O6/c1-5-23(28)26(13-12-17-10-11-21(31-3)22(14-17)32-4)20-16-24(29)27(25(20)30)18-8-7-9-19(15-18)33-6-2/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3
InChIKeyIJMGJSVAHLTLDQ-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.22
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide (PubChem CID 660763) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide
PubChem CID660763
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide
SMILESCCOc1cccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)CC)C2=O)c1
InChIInChI=1S/C25H30N2O6/c1-5-23(28)26(13-12-17-10-11-21(31-3)22(14-17)32-4)20-16-24(29)27(25(20)30)18-8-7-9-19(15-18)33-6-2/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3
InChIKeyIJMGJSVAHLTLDQ-UHFFFAOYSA-N
XLogP3.22
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide (CID 660763) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide is CCOc1cccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)CC)C2=O)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide?
The InChIKey is IJMGJSVAHLTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-5-23(28)26(13-12-17-10-11-21(31-3)22(14-17)32-4)20-16-24(29)27(25(20)30)18-8-7-9-19(15-18)33-6-2/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide has a molecular weight of 454.52 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 660763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).