N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide

C13H16N2O3 — CID 91631365

IUPACN'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(N)=O)Cc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c1-18-13(8-15-12(17)11(14)16)6-9-4-2-3-5-10(9)7-13/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXXAPOPMJXKAHBE-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.23
Rot. Bonds3

About N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide

N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide (PubChem CID 91631365) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide
PubChem CID91631365
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(N)=O)Cc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c1-18-13(8-15-12(17)11(14)16)6-9-4-2-3-5-10(9)7-13/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXXAPOPMJXKAHBE-UHFFFAOYSA-N
XLogP-0.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]propanamide
CID 91631320
methyl ((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)carbamate
CID 91631159
4-ethyl-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
CID 91631203
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91631274
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91631319
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
2-{[N-(S)-1-phenylethylcarbamoylcarbonylamino]methyl}-2-indanol
CID 100733250
N1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 92125588
4,4,4-trifluoro-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125788

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The IUPAC name of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide (CID 91631365) is N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The canonical SMILES for N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide is COC1(CNC(=O)C(N)=O)Cc2ccccc2C1.
What is the InChIKey of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The InChIKey is XXAPOPMJXKAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(8-15-12(17)11(14)16)6-9-4-2-3-5-10(9)7-13/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide?
N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide has a molecular weight of 248.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]oxamide is sourced from PubChem (CID 91631365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).