6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide

C18H15NO3 — CID 24860446

IUPAC6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
InChIInChI=1S/C18H15NO3/c1-11-4-3-5-14(9-11)19-17(20)15-10-13-8-12(2)6-7-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
InChIKeyBYMDGQZMHMAQIC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

About 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide

6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 24860446) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID24860446
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
InChIInChI=1S/C18H15NO3/c1-11-4-3-5-14(9-11)19-17(20)15-10-13-8-12(2)6-7-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
InChIKeyBYMDGQZMHMAQIC-UHFFFAOYSA-N
XLogP3.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide (CID 24860446) is 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1.
What is the InChIKey of 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is BYMDGQZMHMAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-4-3-5-14(9-11)19-17(20)15-10-13-8-12(2)6-7-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20).
What are the key properties of 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 24860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).