N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide

C19H20N2O4 — CID 108518700

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCC1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-21(14-8-4-3-5-9-14)19(23)18(22)20-12-15-13-24-16-10-6-7-11-17(16)25-15/h3-11,15H,2,12-13H2,1H3,(H,20,22)
InChIKeyQDBBJDDQFHAMPF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.00
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide (PubChem CID 108518700) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide
PubChem CID108518700
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCC1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-21(14-8-4-3-5-9-14)19(23)18(22)20-12-15-13-24-16-10-6-7-11-17(16)25-15/h3-11,15H,2,12-13H2,1H3,(H,20,22)
InChIKeyQDBBJDDQFHAMPF-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.00
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

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526396
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108528652
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N'-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(2-phenylethyl)oxamide
CID 6593594
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-prop-2-enyloxamide
CID 108526464
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethylphenyl)acetamide
CID 100583739
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-pyridin-2-yloxamide
CID 7097724

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide (CID 108518700) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide is CCN(C(=O)C(=O)NCC1COc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide?
The InChIKey is QDBBJDDQFHAMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-21(14-8-4-3-5-9-14)19(23)18(22)20-12-15-13-24-16-10-6-7-11-17(16)25-15/h3-11,15H,2,12-13H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide has a molecular weight of 340.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108518700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).