phenacyl 2-[(3-methoxybenzoyl)amino]acetate

C18H17NO5 — CID 2165686

IUPACphenacyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO5/c1-23-15-9-5-8-14(10-15)18(22)19-11-17(21)24-12-16(20)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyBGDXCDLYEBOMHP-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.85
Rot. Bonds7

About phenacyl 2-[(3-methoxybenzoyl)amino]acetate

phenacyl 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 2165686) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is phenacyl 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namephenacyl 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID2165686
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namephenacyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO5/c1-23-15-9-5-8-14(10-15)18(22)19-11-17(21)24-12-16(20)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyBGDXCDLYEBOMHP-UHFFFAOYSA-N
XLogP1.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573952
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881895
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 31145131
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
ethyl 4-[2-[2-[(3-methoxybenzoyl)amino]acetyl]oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41448128
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of phenacyl 2-[(3-methoxybenzoyl)amino]acetate (CID 2165686) is phenacyl 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for phenacyl 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for phenacyl 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)c1.
What is the InChIKey of phenacyl 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is BGDXCDLYEBOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-15-9-5-8-14(10-15)18(22)19-11-17(21)24-12-16(20)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of phenacyl 2-[(3-methoxybenzoyl)amino]acetate?
phenacyl 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 327.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2165686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).