[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C19H20N2O5 — CID 2494655

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-21(15-6-4-3-5-7-15)17(22)13-26-18(23)12-20-19(24)14-8-10-16(25-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyHWDMQOWNKHFGDF-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.63
Rot. Bonds7

About [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 2494655) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID2494655
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-21(15-6-4-3-5-7-15)17(22)13-26-18(23)12-20-19(24)14-8-10-16(25-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyHWDMQOWNKHFGDF-UHFFFAOYSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 2494655) is [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is HWDMQOWNKHFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21(15-6-4-3-5-7-15)17(22)13-26-18(23)12-20-19(24)14-8-10-16(25-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 356.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2494655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).