N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide

C18H18N2O5 — CID 2906224

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C18H18N2O5/c1-23-14-7-3-2-6-13(14)20-18(22)17(21)19-10-12-11-24-15-8-4-5-9-16(15)25-12/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCTMQXIODZQOCJR-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.59
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide (PubChem CID 2906224) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
PubChem CID2906224
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C18H18N2O5/c1-23-14-7-3-2-6-13(14)20-18(22)17(21)19-10-12-11-24-15-8-4-5-9-16(15)25-12/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCTMQXIODZQOCJR-UHFFFAOYSA-N
XLogP1.59
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.59
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

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CID 65853
Rwj-69736
CID 9866614
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Rwj-38063
CID 9887378
Rwj-68157
CID 9888164
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
N-(2-Ethoxy-phenyl)-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamide
CID 655207
2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-propoxyphenyl)acetamide
CID 2838665
Paraxazone
CID 3047812

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide (CID 2906224) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
The InChIKey is CTMQXIODZQOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-14-7-3-2-6-13(14)20-18(22)17(21)19-10-12-11-24-15-8-4-5-9-16(15)25-12/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide has a molecular weight of 342.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 2906224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).