N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide

C25H30N2O5 — CID 90004706

IUPACN-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide
SMILESCOc1cc(N2CCC(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)C(C)=O
InChIInChI=1S/C25H30N2O5/c1-17(28)26(2)14-15-31-22-11-8-20(16-24(22)30-3)27-13-12-23(25(27)29)32-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23H,4-5,12-15H2,1-3H3
InChIKeyMQLURKRECSYRNM-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.61
Rot. Bonds9

About N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide

N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide (PubChem CID 90004706) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide
PubChem CID90004706
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide
SMILESCOc1cc(N2CCC(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)C(C)=O
InChIInChI=1S/C25H30N2O5/c1-17(28)26(2)14-15-31-22-11-8-20(16-24(22)30-3)27-13-12-23(25(27)29)32-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23H,4-5,12-15H2,1-3H3
InChIKeyMQLURKRECSYRNM-UHFFFAOYSA-N
XLogP3.61
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide (CID 90004706) is N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide is COc1cc(N2CCC(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)C(C)=O.
What is the InChIKey of N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide?
The InChIKey is MQLURKRECSYRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-17(28)26(2)14-15-31-22-11-8-20(16-24(22)30-3)27-13-12-23(25(27)29)32-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23H,4-5,12-15H2,1-3H3.
What are the key properties of N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide?
N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide has a molecular weight of 438.52 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide is sourced from PubChem (CID 90004706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).