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

C10H10N2O4 — CID 3122126

IUPACN'-(1,3-benzodioxol-5-ylmethyl)oxamide
SMILESNC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H10N2O4/c11-9(13)10(14)12-4-6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H2,11,13)(H,12,14)
InChIKeyKJJWHSNGHLLBBC-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.48
Rot. Bonds2

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

N'-(1,3-benzodioxol-5-ylmethyl)oxamide (PubChem CID 3122126) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-ylmethyl)oxamide
PubChem CID3122126
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN'-(1,3-benzodioxol-5-ylmethyl)oxamide
SMILESNC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H10N2O4/c11-9(13)10(14)12-4-6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H2,11,13)(H,12,14)
InChIKeyKJJWHSNGHLLBBC-UHFFFAOYSA-N
XLogP-0.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)methyl]oxamide
CID 7769074
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
4-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxobutanamide
CID 58348844
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
CID 7584983
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
(E)-N-(1,3-benzodioxol-5-ylmethyl)but-2-enamide
CID 70328335
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,3,5,6-tetrafluorophenyl)methyl]oxamide
CID 166184902
N'-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502994
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
CID 18588725
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902165

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-ylmethyl)oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-ylmethyl)oxamide (CID 3122126) is N'-(1,3-benzodioxol-5-ylmethyl)oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-ylmethyl)oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-ylmethyl)oxamide is NC(=O)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-ylmethyl)oxamide?
The InChIKey is KJJWHSNGHLLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-9(13)10(14)12-4-6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H2,11,13)(H,12,14).
What are the key properties of N'-(1,3-benzodioxol-5-ylmethyl)oxamide?
N'-(1,3-benzodioxol-5-ylmethyl)oxamide has a molecular weight of 222.20 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-ylmethyl)oxamide is sourced from PubChem (CID 3122126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).