[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate

C19H19NO5 — CID 18283692

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)COC(=O)CNC(=O)c2ccccc2C)c1
InChIInChI=1S/C19H19NO5/c1-13-6-3-4-9-16(13)19(23)20-11-18(22)25-12-17(21)14-7-5-8-15(10-14)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyBHXBLJPNGBNISZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.16
Rot. Bonds7

About [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate

[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 18283692) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID18283692
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)COC(=O)CNC(=O)c2ccccc2C)c1
InChIInChI=1S/C19H19NO5/c1-13-6-3-4-9-16(13)19(23)20-11-18(22)25-12-17(21)14-7-5-8-15(10-14)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyBHXBLJPNGBNISZ-UHFFFAOYSA-N
XLogP2.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881895
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 27238678
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796053

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate (CID 18283692) is [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate is COc1cccc(C(=O)COC(=O)CNC(=O)c2ccccc2C)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is BHXBLJPNGBNISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-13-6-3-4-9-16(13)19(23)20-11-18(22)25-12-17(21)14-7-5-8-15(10-14)24-2/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 341.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 18283692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).