N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide

C18H15NO3 — CID 4178579

IUPACN-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1coc(=O)c2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-7-3-6-10-16(12)19(2)17(20)15-11-22-18(21)14-9-5-4-8-13(14)15/h3-11H,1-2H3
InChIKeyCLRLASBNFVDHOJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.38
Rot. Bonds2

About N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide

N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide (PubChem CID 4178579) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide
PubChem CID4178579
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1coc(=O)c2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-7-3-6-10-16(12)19(2)17(20)15-11-22-18(21)14-9-5-4-8-13(14)15/h3-11H,1-2H3
InChIKeyCLRLASBNFVDHOJ-UHFFFAOYSA-N
XLogP3.38
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide (CID 4178579) is N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide is Cc1ccccc1N(C)C(=O)c1coc(=O)c2ccccc12.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide?
The InChIKey is CLRLASBNFVDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-3-6-10-16(12)19(2)17(20)15-11-22-18(21)14-9-5-4-8-13(14)15/h3-11H,1-2H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide?
N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 4178579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).