N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide

C18H15NO3 — CID 872422

IUPACN-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-13-8-3-4-9-15(13)22-18(14)21/h3-10H,1-2H3,(H,19,20)
InChIKeyDFEGOCIFDTWAPK-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

About N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide

N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 872422) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide
PubChem CID872422
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-13-8-3-4-9-15(13)22-18(14)21/h3-10H,1-2H3,(H,19,20)
InChIKeyDFEGOCIFDTWAPK-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 N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide (CID 872422) is N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is DFEGOCIFDTWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-13-8-3-4-9-15(13)22-18(14)21/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide?
N-(2,6-dimethylphenyl)-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 N-(2,6-dimethylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 872422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).