N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide

C20H18N2O4 — CID 4972988

IUPACN-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1
InChIInChI=1S/C20H18N2O4/c1-11-8-12(2)19-16(9-11)17(24)10-18(26-19)20(25)22-15-6-4-14(5-7-15)21-13(3)23/h4-10H,1-3H3,(H,21,23)(H,22,25)
InChIKeyDAMNZOZLIMYNNC-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.62
Rot. Bonds3

About N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide

N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 4972988) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID4972988
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1
InChIInChI=1S/C20H18N2O4/c1-11-8-12(2)19-16(9-11)17(24)10-18(26-19)20(25)22-15-6-4-14(5-7-15)21-13(3)23/h4-10H,1-3H3,(H,21,23)(H,22,25)
InChIKeyDAMNZOZLIMYNNC-UHFFFAOYSA-N
XLogP3.62
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 4972988) is N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is DAMNZOZLIMYNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-11-8-12(2)19-16(9-11)17(24)10-18(26-19)20(25)22-15-6-4-14(5-7-15)21-13(3)23/h4-10H,1-3H3,(H,21,23)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4972988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).