(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate

C20H21NO6 — CID 8619174

IUPAC(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C20H21NO6/c1-3-26-12-16-11-15(9-10-17(16)25-2)20(24)27-13-18(22)21-19(23)14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3,(H,21,22,23)
InChIKeyFLVGDGPSGGHQBX-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.35
Rot. Bonds8

About (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate

(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate (PubChem CID 8619174) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
PubChem CID8619174
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C20H21NO6/c1-3-26-12-16-11-15(9-10-17(16)25-2)20(24)27-13-18(22)21-19(23)14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3,(H,21,22,23)
InChIKeyFLVGDGPSGGHQBX-UHFFFAOYSA-N
XLogP2.35
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
CID 8702579
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
CID 2600245
(2-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618837
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619530
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618711
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
CID 7488796
N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
CID 8870531
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618904

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate (CID 8619174) is (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate is CCOCc1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)ccc1OC.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate?
The InChIKey is FLVGDGPSGGHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-26-12-16-11-15(9-10-17(16)25-2)20(24)27-13-18(22)21-19(23)14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate?
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate is sourced from PubChem (CID 8619174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).