N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide

C19H20N2O3 — CID 2908235

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFMLAHQZKMCWVAU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.36
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide (PubChem CID 2908235) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide
PubChem CID2908235
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFMLAHQZKMCWVAU-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide (CID 2908235) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is FMLAHQZKMCWVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 324.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 2908235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).