[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C21H25NO6 — CID 2556389

IUPAC[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO6/c1-25-17-7-4-15(5-8-17)13-21(24)28-14-20(23)22-11-10-16-6-9-18(26-2)19(12-16)27-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,23)
InChIKeyPMSKXLFJZBKDRF-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.16
Rot. Bonds10

About [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2556389) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2556389
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO6/c1-25-17-7-4-15(5-8-17)13-21(24)28-14-20(23)22-11-10-16-6-9-18(26-2)19(12-16)27-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,23)
InChIKeyPMSKXLFJZBKDRF-UHFFFAOYSA-N
XLogP2.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)acetamide;2-(4-methoxyphenyl)acetic acid
CID 161238397
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201254
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536176
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751609

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2556389) is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is PMSKXLFJZBKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-25-17-7-4-15(5-8-17)13-21(24)28-14-20(23)22-11-10-16-6-9-18(26-2)19(12-16)27-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 387.43 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2556389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).