N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide

C25H27NO6 — CID 4869209

IUPACN-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1OC
InChIInChI=1S/C25H27NO6/c1-14-17-10-15-8-9-25(2,3)32-20(15)13-21(17)31-24(28)18(14)12-23(27)26-16-6-7-19(29-4)22(11-16)30-5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,26,27)
InChIKeyIODHYXKMHXRBJI-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.40
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide (PubChem CID 4869209) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
PubChem CID4869209
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1OC
InChIInChI=1S/C25H27NO6/c1-14-17-10-15-8-9-25(2,3)32-20(15)13-21(17)31-24(28)18(14)12-23(27)26-16-6-7-19(29-4)22(11-16)30-5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,26,27)
InChIKeyIODHYXKMHXRBJI-UHFFFAOYSA-N
XLogP4.40
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 73257002
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4897686
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71753734
N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 8016596
methyl 3-[3-(6-methyl-8-oxospiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-7-yl)propanoylamino]propanoate
CID 91637116
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-cyclopropylacetamide
CID 4908372
methyl 4-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 4900058
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4914071
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 124652635
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4973849

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide (CID 4869209) is N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide is COc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
The InChIKey is IODHYXKMHXRBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-14-17-10-15-8-9-25(2,3)32-20(15)13-21(17)31-24(28)18(14)12-23(27)26-16-6-7-19(29-4)22(11-16)30-5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,26,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide has a molecular weight of 437.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide is sourced from PubChem (CID 4869209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).