N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide

C19H17NO3 — CID 24860448

IUPACN-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
InChIInChI=1S/C19H17NO3/c1-11-4-5-17-14(7-11)10-16(19(22)23-17)18(21)20-15-8-12(2)6-13(3)9-15/h4-10H,1-3H3,(H,20,21)
InChIKeyLQLUAXVECOARTB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.97
Rot. Bonds2

About N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide

N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide (PubChem CID 24860448) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
PubChem CID24860448
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
InChIInChI=1S/C19H17NO3/c1-11-4-5-17-14(7-11)10-16(19(22)23-17)18(21)20-15-8-12(2)6-13(3)9-15/h4-10H,1-3H3,(H,20,21)
InChIKeyLQLUAXVECOARTB-UHFFFAOYSA-N
XLogP3.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.97
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-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide (CID 24860448) is N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The InChIKey is LQLUAXVECOARTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-4-5-17-14(7-11)10-16(19(22)23-17)18(21)20-15-8-12(2)6-13(3)9-15/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 24860448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).