[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

C23H26N2O7 — CID 55442450

IUPAC[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCOc1ccc(OC)c(NC(=O)C(C)OC(=O)COc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C23H26N2O7/c1-15(23(28)24-19-13-18(29-2)10-11-20(19)30-3)32-22(27)14-31-17-8-6-16(7-9-17)25-12-4-5-21(25)26/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,28)
InChIKeyBPCYXCKDINQXGT-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.78
Rot. Bonds9

About [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (PubChem CID 55442450) has the molecular formula C23H26N2O7 and a molecular weight of 442.47 g/mol. Its IUPAC name is [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.

Molecular Properties

Compound Name[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
PubChem CID55442450
Molecular FormulaC23H26N2O7
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Name[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCOc1ccc(OC)c(NC(=O)C(C)OC(=O)COc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C23H26N2O7/c1-15(23(28)24-19-13-18(29-2)10-11-20(19)30-3)32-22(27)14-31-17-8-6-16(7-9-17)25-12-4-5-21(25)26/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,28)
InChIKeyBPCYXCKDINQXGT-UHFFFAOYSA-N
XLogP2.78
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25354796
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952863
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 55321316
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659126
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 42969587
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 46789638
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446204
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570627
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 31459467

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The IUPAC name of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (CID 55442450) is [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.
What is the SMILES notation for [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The canonical SMILES for [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is COc1ccc(OC)c(NC(=O)C(C)OC(=O)COc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The InChIKey is BPCYXCKDINQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7/c1-15(23(28)24-19-13-18(29-2)10-11-20(19)30-3)32-22(27)14-31-17-8-6-16(7-9-17)25-12-4-5-21(25)26/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,28).
What are the key properties of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate has a molecular weight of 442.47 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is sourced from PubChem (CID 55442450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).