[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

C21H23NO7 — CID 2561837

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C21H23NO7/c1-4-27-17-11-10-14(12-18(17)28-5-2)21(25)29-13-19(23)22-20(24)15-8-6-7-9-16(15)26-3/h6-12H,4-5,13H2,1-3H3,(H,22,23,24)
InChIKeyZYHGCCLRJLZBBF-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.61
Rot. Bonds9

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 2561837) has the molecular formula C21H23NO7 and a molecular weight of 401.42 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID2561837
Molecular FormulaC21H23NO7
Molecular Weight401.42 g/mol
Exact Mass401.15
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C21H23NO7/c1-4-27-17-11-10-14(12-18(17)28-5-2)21(25)29-13-19(23)22-20(24)15-8-6-7-9-16(15)26-3/h6-12H,4-5,13H2,1-3H3,(H,22,23,24)
InChIKeyZYHGCCLRJLZBBF-UHFFFAOYSA-N
XLogP2.61
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
CID 2600245
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
(2-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776378
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791148
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7558706

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (CID 2561837) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2OC)cc1OCC.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is ZYHGCCLRJLZBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO7/c1-4-27-17-11-10-14(12-18(17)28-5-2)21(25)29-13-19(23)22-20(24)15-8-6-7-9-16(15)26-3/h6-12H,4-5,13H2,1-3H3,(H,22,23,24).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 401.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 2561837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).