N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide

C18H15NO3 — CID 724195

IUPACN-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C
InChIInChI=1S/C18H15NO3/c1-11-7-8-14(9-12(11)2)19-17(20)15-10-13-5-3-4-6-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
InChIKeyVUJINTDHHNCFJN-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide

N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 724195) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide
PubChem CID724195
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C
InChIInChI=1S/C18H15NO3/c1-11-7-8-14(9-12(11)2)19-17(20)15-10-13-5-3-4-6-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
InChIKeyVUJINTDHHNCFJN-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-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide (CID 724195) is N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is VUJINTDHHNCFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-7-8-14(9-12(11)2)19-17(20)15-10-13-5-3-4-6-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide?
N-(3,4-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-(3,4-dimethylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 724195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).