N-benzyl-6-methyl-2-oxochromene-3-carboxamide

C18H15NO3 — CID 24860436

IUPACN-benzyl-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C18H15NO3/c1-12-7-8-16-14(9-12)10-15(18(21)22-16)17(20)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyZEYLUFWPGDCIRE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.03
Rot. Bonds3

About N-benzyl-6-methyl-2-oxochromene-3-carboxamide

N-benzyl-6-methyl-2-oxochromene-3-carboxamide (PubChem CID 24860436) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-oxochromene-3-carboxamide
PubChem CID24860436
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-benzyl-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C18H15NO3/c1-12-7-8-16-14(9-12)10-15(18(21)22-16)17(20)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyZEYLUFWPGDCIRE-UHFFFAOYSA-N
XLogP3.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.03
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 N-benzyl-6-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-benzyl-6-methyl-2-oxochromene-3-carboxamide (CID 24860436) is N-benzyl-6-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-2-oxochromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of N-benzyl-6-methyl-2-oxochromene-3-carboxamide?
The InChIKey is ZEYLUFWPGDCIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-8-16-14(9-12)10-15(18(21)22-16)17(20)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-benzyl-6-methyl-2-oxochromene-3-carboxamide?
N-benzyl-6-methyl-2-oxochromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 24860436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).