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

C23H29NO6 — CID 25367363

IUPAC[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCCOc1ccc(CCNC(=O)COC(=O)Cc2ccccc2OC)cc1OCC
InChIInChI=1S/C23H29NO6/c1-4-28-20-11-10-17(14-21(20)29-5-2)12-13-24-22(25)16-30-23(26)15-18-8-6-7-9-19(18)27-3/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeyNZBFJUFHRZQTDH-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.94
Rot. Bonds12

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

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 25367363) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID25367363
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCCOc1ccc(CCNC(=O)COC(=O)Cc2ccccc2OC)cc1OCC
InChIInChI=1S/C23H29NO6/c1-4-28-20-11-10-17(14-21(20)29-5-2)12-13-24-22(25)16-30-23(26)15-18-8-6-7-9-19(18)27-3/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeyNZBFJUFHRZQTDH-UHFFFAOYSA-N
XLogP2.94
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 25367363) is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is CCOc1ccc(CCNC(=O)COC(=O)Cc2ccccc2OC)cc1OCC.
What is the InChIKey of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is NZBFJUFHRZQTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-4-28-20-11-10-17(14-21(20)29-5-2)12-13-24-22(25)16-30-23(26)15-18-8-6-7-9-19(18)27-3/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,25).
What are the key properties of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 415.49 g/mol, XLogP of 2.94, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 25367363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).