2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide

C15H19NO5 — CID 21435235

IUPAC2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide
SMILESCOc1cc(OC)c2c(c1)OC(C(C)(C)C(N)=O)CC2=O
InChIInChI=1S/C15H19NO5/c1-15(2,14(16)18)12-7-9(17)13-10(20-4)5-8(19-3)6-11(13)21-12/h5-6,12H,7H2,1-4H3,(H2,16,18)
InChIKeyHEZPZNUFPLQJQC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.55
Rot. Bonds4

About 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide

2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide (PubChem CID 21435235) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide
PubChem CID21435235
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide
SMILESCOc1cc(OC)c2c(c1)OC(C(C)(C)C(N)=O)CC2=O
InChIInChI=1S/C15H19NO5/c1-15(2,14(16)18)12-7-9(17)13-10(20-4)5-8(19-3)6-11(13)21-12/h5-6,12H,7H2,1-4H3,(H2,16,18)
InChIKeyHEZPZNUFPLQJQC-UHFFFAOYSA-N
XLogP1.55
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
4,6-dimethoxy-2-propyl-1-benzofuran-3-one
CID 83048905
2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
CID 596478
(2R)-2-[4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 163068106
(2S)-8-[5-[(2S)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163039099
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159611
7-methoxy-2-phenyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 67187397
(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 91884749
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide (CID 21435235) is 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide is COc1cc(OC)c2c(c1)OC(C(C)(C)C(N)=O)CC2=O.
What is the InChIKey of 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide?
The InChIKey is HEZPZNUFPLQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,14(16)18)12-7-9(17)13-10(20-4)5-8(19-3)6-11(13)21-12/h5-6,12H,7H2,1-4H3,(H2,16,18).
What are the key properties of 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide?
2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide has a molecular weight of 293.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide is sourced from PubChem (CID 21435235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).