[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

C19H21NO5 — CID 7606225

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO5/c1-3-23-16-7-9-17(10-8-16)24-13-19(22)25-12-18(21)20-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyBFMPVPXGVPTCCU-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.95
Rot. Bonds8

About [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 7606225) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID7606225
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO5/c1-3-23-16-7-9-17(10-8-16)24-13-19(22)25-12-18(21)20-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyBFMPVPXGVPTCCU-UHFFFAOYSA-N
XLogP2.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 2389753
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
[2-(3-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537715

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (CID 7606225) is [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is BFMPVPXGVPTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-23-16-7-9-17(10-8-16)24-13-19(22)25-12-18(21)20-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 343.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 7606225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).