N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide

C22H18N2O4 — CID 108528257

IUPACN-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O4/c25-21(23-17-11-12-19-20(13-17)28-15-27-19)22(26)24(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,25)
InChIKeyNFHVKGFYVBZAOL-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.59
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide

N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide (PubChem CID 108528257) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
PubChem CID108528257
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O4/c25-21(23-17-11-12-19-20(13-17)28-15-27-19)22(26)24(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,25)
InChIKeyNFHVKGFYVBZAOL-UHFFFAOYSA-N
XLogP3.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-ylamino)-N-benzyl-N-phenylpropanamide
CID 109041955
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-phenyloxamide
CID 108986912
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide
CID 43814851
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-methylpropanediamide
CID 108946171
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperazin-1-yl)-2-oxoacetamide
CID 44902015
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide (CID 108528257) is N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide is O=C(Nc1ccc2c(c1)OCO2)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide?
The InChIKey is NFHVKGFYVBZAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(23-17-11-12-19-20(13-17)28-15-27-19)22(26)24(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide?
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide has a molecular weight of 374.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide is sourced from PubChem (CID 108528257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).