(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate

C18H17NO5 — CID 7488796

IUPAC(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5/c1-23-11-13-7-9-15(10-8-13)18(22)24-12-16(20)19-17(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20,21)
InChIKeyQTBCAMLSAQCCFR-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.95
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate

(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate (PubChem CID 7488796) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
PubChem CID7488796
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5/c1-23-11-13-7-9-15(10-8-13)18(22)24-12-16(20)19-17(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20,21)
InChIKeyQTBCAMLSAQCCFR-UHFFFAOYSA-N
XLogP1.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
(2-benzamido-2-oxoethyl) 4-acetamidobenzoate
CID 7949820
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
CID 8702579
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619174
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 42969272
(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate
CID 7808266
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
CID 7676886
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate (CID 7488796) is (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate?
The InChIKey is QTBCAMLSAQCCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-11-13-7-9-15(10-8-13)18(22)24-12-16(20)19-17(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate?
(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate has a molecular weight of 327.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate is sourced from PubChem (CID 7488796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).