[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate

C21H23ClN2O7 — CID 25442275

IUPAC[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
SMILESCCNC(=O)COC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1
InChIInChI=1S/C21H23ClN2O7/c1-4-23-19(25)11-31-21(27)13-5-7-17(18(9-13)29-3)30-12-20(26)24-15-10-14(22)6-8-16(15)28-2/h5-10H,4,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCBEYFAQORXULNJ-UHFFFAOYSA-N
MW450.88 g/mol
LogP2.67
Rot. Bonds10

About [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate

[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate (PubChem CID 25442275) has the molecular formula C21H23ClN2O7 and a molecular weight of 450.88 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
PubChem CID25442275
Molecular FormulaC21H23ClN2O7
Molecular Weight450.88 g/mol
Exact Mass450.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
SMILESCCNC(=O)COC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1
InChIInChI=1S/C21H23ClN2O7/c1-4-23-19(25)11-31-21(27)13-5-7-17(18(9-13)29-3)30-12-20(26)24-15-10-14(22)6-8-16(15)28-2/h5-10H,4,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCBEYFAQORXULNJ-UHFFFAOYSA-N
XLogP2.67
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate with MolForge

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Related Compounds

[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308886
[2-(4-acetylanilino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3279488
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538476
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903222
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592675
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 42969112
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3488440
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 55308668
(5-methyl-1,2-oxazol-3-yl)methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 28572960
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 40557216
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate (CID 25442275) is [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate is CCNC(=O)COC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
The InChIKey is CBEYFAQORXULNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O7/c1-4-23-19(25)11-31-21(27)13-5-7-17(18(9-13)29-3)30-12-20(26)24-15-10-14(22)6-8-16(15)28-2/h5-10H,4,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate has a molecular weight of 450.88 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate is sourced from PubChem (CID 25442275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).