[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C20H20N2O5 — CID 2379658

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O5/c1-25-17-8-7-14(10-18(17)26-2)22-19(23)12-27-20(24)9-13-11-21-16-6-4-3-5-15(13)16/h3-8,10-11,21H,9,12H2,1-2H3,(H,22,23)
InChIKeyBZRZDSKZRGQRMB-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.91
Rot. Bonds7

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 2379658) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID2379658
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O5/c1-25-17-8-7-14(10-18(17)26-2)22-19(23)12-27-20(24)9-13-11-21-16-6-4-3-5-15(13)16/h3-8,10-11,21H,9,12H2,1-2H3,(H,22,23)
InChIKeyBZRZDSKZRGQRMB-UHFFFAOYSA-N
XLogP2.91
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 2379658) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is COc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is BZRZDSKZRGQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-17-8-7-14(10-18(17)26-2)22-19(23)12-27-20(24)9-13-11-21-16-6-4-3-5-15(13)16/h3-8,10-11,21H,9,12H2,1-2H3,(H,22,23).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 368.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 2379658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).