N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C25H32N2O5 — CID 20968399

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1OCC
InChIInChI=1S/C25H32N2O5/c1-4-31-22-11-8-18(14-23(22)32-5-2)12-13-26-25(29)20-15-24(28)27(17-20)16-19-6-9-21(30-3)10-7-19/h6-11,14,20H,4-5,12-13,15-17H2,1-3H3,(H,26,29)
InChIKeyPVWPGOSVNAUUSZ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.20
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 20968399) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID20968399
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1OCC
InChIInChI=1S/C25H32N2O5/c1-4-31-22-11-8-18(14-23(22)32-5-2)12-13-26-25(29)20-15-24(28)27(17-20)16-19-6-9-21(30-3)10-7-19/h6-11,14,20H,4-5,12-13,15-17H2,1-3H3,(H,26,29)
InChIKeyPVWPGOSVNAUUSZ-UHFFFAOYSA-N
XLogP3.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5092
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 20968399) is N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(CCNC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVWPGOSVNAUUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-4-31-22-11-8-18(14-23(22)32-5-2)12-13-26-25(29)20-15-24(28)27(17-20)16-19-6-9-21(30-3)10-7-19/h6-11,14,20H,4-5,12-13,15-17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 20968399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).