[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

C20H23NO4 — CID 7523992

IUPAC[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C20H23NO4/c1-3-24-18-10-5-4-8-16(18)11-12-20(23)25-14-19(22)21-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,22)
InChIKeyBNVGEPLGPJWIMS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.51
Rot. Bonds8

About [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 7523992) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID7523992
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C20H23NO4/c1-3-24-18-10-5-4-8-16(18)11-12-20(23)25-14-19(22)21-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,22)
InChIKeyBNVGEPLGPJWIMS-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524388
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
[2-(3-bromoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871124
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524402
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 7523992) is [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is BNVGEPLGPJWIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-24-18-10-5-4-8-16(18)11-12-20(23)25-14-19(22)21-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7523992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).