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

C17H15N3O5 — CID 7584983

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H15N3O5/c18-15(21)11-2-4-12(5-3-11)20-17(23)16(22)19-8-10-1-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyKVTBPSRSYMJXGD-UHFFFAOYSA-N
MW341.32 g/mol
LogP0.77
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide (PubChem CID 7584983) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
PubChem CID7584983
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H15N3O5/c18-15(21)11-2-4-12(5-3-11)20-17(23)16(22)19-8-10-1-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyKVTBPSRSYMJXGD-UHFFFAOYSA-N
XLogP0.77
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
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-methoxyphenyl)oxamide
CID 4037055
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-cyanophenyl)oxamide
CID 108508533
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
CID 18588725
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649
[4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108508572
N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108508570
4-[[[N-(1,3-benzodioxol-5-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111844981
N'-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]oxamide
CID 2290813
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047465

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide (CID 7584983) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide?
The InChIKey is KVTBPSRSYMJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c18-15(21)11-2-4-12(5-3-11)20-17(23)16(22)19-8-10-1-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide has a molecular weight of 341.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 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-carbamoylphenyl)oxamide is sourced from PubChem (CID 7584983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).