N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C20H20N2O6 — CID 108740722

IUPACN-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)c1C(N)=O
InChIInChI=1S/C20H20N2O6/c1-9(23)15-10(2)27-19(16(15)17(21)25)22-18(26)11-5-6-14-12(7-11)13(24)8-20(3,4)28-14/h5-7H,8H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyYZAFYSYFBSQBRE-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.89
Rot. Bonds4

About N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108740722) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108740722
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC NameN-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)c1C(N)=O
InChIInChI=1S/C20H20N2O6/c1-9(23)15-10(2)27-19(16(15)17(21)25)22-18(26)11-5-6-14-12(7-11)13(24)8-20(3,4)28-14/h5-7H,8H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyYZAFYSYFBSQBRE-UHFFFAOYSA-N
XLogP2.89
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108740722) is N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC(=O)c1c(C)oc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)c1C(N)=O.
What is the InChIKey of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is YZAFYSYFBSQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-9(23)15-10(2)27-19(16(15)17(21)25)22-18(26)11-5-6-14-12(7-11)13(24)8-20(3,4)28-14/h5-7H,8H2,1-4H3,(H2,21,25)(H,22,26).
What are the key properties of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108740722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).