phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate

C18H15NO6 — CID 7883743

IUPACphenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccc2c(c1)OCO2)OCC(=O)c1ccccc1
InChIInChI=1S/C18H15NO6/c20-14(12-4-2-1-3-5-12)10-23-17(21)9-19-18(22)13-6-7-15-16(8-13)25-11-24-15/h1-8H,9-11H2,(H,19,22)
InChIKeyQVIWVVQVASXKQQ-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.57
Rot. Bonds6

About phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate

phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate (PubChem CID 7883743) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate.

Molecular Properties

Compound Namephenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
PubChem CID7883743
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Namephenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccc2c(c1)OCO2)OCC(=O)c1ccccc1
InChIInChI=1S/C18H15NO6/c20-14(12-4-2-1-3-5-12)10-23-17(21)9-19-18(22)13-6-7-15-16(8-13)25-11-24-15/h1-8H,9-11H2,(H,19,22)
InChIKeyQVIWVVQVASXKQQ-UHFFFAOYSA-N
XLogP1.57
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883000
[2-(4-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883708
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662283
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 4856746
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573686
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574216
[2-(cyclopropylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883585
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574255
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270753
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883552
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574294

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate?
The IUPAC name of phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate (CID 7883743) is phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate.
What is the SMILES notation for phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate?
The canonical SMILES for phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate is O=C(CNC(=O)c1ccc2c(c1)OCO2)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate?
The InChIKey is QVIWVVQVASXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c20-14(12-4-2-1-3-5-12)10-23-17(21)9-19-18(22)13-6-7-15-16(8-13)25-11-24-15/h1-8H,9-11H2,(H,19,22).
What are the key properties of phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate?
phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate has a molecular weight of 341.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate is sourced from PubChem (CID 7883743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).