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

C22H24N2O5 — CID 7960323

IUPAC[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H24N2O5/c1-27-19-8-7-15(11-20(19)28-2)9-10-23-21(25)14-29-22(26)12-16-13-24-18-6-4-3-5-17(16)18/h3-8,11,13,24H,9-10,12,14H2,1-2H3,(H,23,25)
InChIKeyHCPCSOBGABZMNJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.63
Rot. Bonds9

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

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960323) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960323
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H24N2O5/c1-27-19-8-7-15(11-20(19)28-2)9-10-23-21(25)14-29-22(26)12-16-13-24-18-6-4-3-5-17(16)18/h3-8,11,13,24H,9-10,12,14H2,1-2H3,(H,23,25)
InChIKeyHCPCSOBGABZMNJ-UHFFFAOYSA-N
XLogP2.63
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960323) is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is COc1ccc(CCNC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is HCPCSOBGABZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-19-8-7-15(11-20(19)28-2)9-10-23-21(25)14-29-22(26)12-16-13-24-18-6-4-3-5-17(16)18/h3-8,11,13,24H,9-10,12,14H2,1-2H3,(H,23,25).
What are the key properties of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 396.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).