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164251537 molecular structure
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N-(4-acetamidophenyl)-3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

ChemBase ID: 195627
Molecular Formular: C25H24N2O5
Molecular Mass: 432.46846
Monoisotopic Mass: 432.16852188
SMILES and InChIs

SMILES:
c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)Nc1ccc(NC(=O)C)cc1
Canonical SMILES:
O=C(Nc1ccc(cc1)NC(=O)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
InChI:
InChI=1S/C25H24N2O5/c1-13-15(3)31-22-12-23-21(11-20(13)22)14(2)19(25(30)32-23)9-10-24(29)27-18-7-5-17(6-8-18)26-16(4)28/h5-8,11-12H,9-10H2,1-4H3,(H,26,28)(H,27,29)
InChIKey:
AEJITQQRWBLFLV-UHFFFAOYSA-N

Cite this record

CBID:195627 http://www.chembase.cn/molecule-195627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-acetamidophenyl)-3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
IUPAC Traditional name
N-(4-acetamidophenyl)-3-{2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}propanamide
PubChem SID
164251537
PubChem CID
1799027

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1799027 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.1085205  H Acceptors
H Donor LogD (pH = 5.5) 3.5913186 
LogD (pH = 7.4) 3.5913186  Log P 3.5913186 
Molar Refractivity 123.2274 cm3 Polarizability 46.635094 Å3
Polar Surface Area 97.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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