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

C21H25NO6 — CID 7705523

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C21H25NO6/c1-4-26-18-11-8-16(13-19(18)27-5-2)22-20(23)14-28-21(24)12-15-6-9-17(25-3)10-7-15/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)
InChIKeyLDKKMSHHUZTYKA-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.22
Rot. Bonds10

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

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 7705523) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID7705523
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C21H25NO6/c1-4-26-18-11-8-16(13-19(18)27-5-2)22-20(23)14-28-21(24)12-15-6-9-17(25-3)10-7-15/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)
InChIKeyLDKKMSHHUZTYKA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71822991
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 7705523) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is CCOc1ccc(NC(=O)COC(=O)Cc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is LDKKMSHHUZTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-4-26-18-11-8-16(13-19(18)27-5-2)22-20(23)14-28-21(24)12-15-6-9-17(25-3)10-7-15/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 387.43 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7705523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).