[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate

C22H27NO7 — CID 46789638

IUPAC[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OC(C)C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H27NO7/c1-5-28-16-6-8-17(9-7-16)29-13-12-21(24)30-15(2)22(25)23-19-14-18(26-3)10-11-20(19)27-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyULDDBAWKNOTURK-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.44
Rot. Bonds11

About [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 46789638) has the molecular formula C22H27NO7 and a molecular weight of 417.46 g/mol. Its IUPAC name is [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID46789638
Molecular FormulaC22H27NO7
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Name[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OC(C)C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H27NO7/c1-5-28-16-6-8-17(9-7-16)29-13-12-21(24)30-15(2)22(25)23-19-14-18(26-3)10-11-20(19)27-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyULDDBAWKNOTURK-UHFFFAOYSA-N
XLogP3.44
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16503892
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147098
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 42969587
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147758
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46618877
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 16535238
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 31459467
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 55316500
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate (CID 46789638) is [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OC(C)C(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is ULDDBAWKNOTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7/c1-5-28-16-6-8-17(9-7-16)29-13-12-21(24)30-15(2)22(25)23-19-14-18(26-3)10-11-20(19)27-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,25).
What are the key properties of [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate?
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 417.46 g/mol, XLogP of 3.44, 11 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] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 46789638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).