N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide

C17H16N2O5 — CID 4037055

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O5/c1-22-13-5-3-12(4-6-13)19-17(21)16(20)18-9-11-2-7-14-15(8-11)24-10-23-14/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZDUZOZRUMYJOMY-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.68
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide (PubChem CID 4037055) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
PubChem CID4037055
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O5/c1-22-13-5-3-12(4-6-13)19-17(21)16(20)18-9-11-2-7-14-15(8-11)24-10-23-14/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZDUZOZRUMYJOMY-UHFFFAOYSA-N
XLogP1.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
CID 7584983
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-cyanophenyl)oxamide
CID 108508533
5-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353635
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108508570
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
CID 18588725
N'-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]oxamide
CID 2290813
[4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108508572
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(methoxymethyl)phenyl]urea
CID 119049625
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109234623
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide (CID 4037055) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide?
The InChIKey is ZDUZOZRUMYJOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-13-5-3-12(4-6-13)19-17(21)16(20)18-9-11-2-7-14-15(8-11)24-10-23-14/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide has a molecular weight of 328.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 4037055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).