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164251477 molecular structure
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N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide

ChemBase ID: 195567
Molecular Formular: C24H25N3O2
Molecular Mass: 387.4742
Monoisotopic Mass: 387.19467706
SMILES and InChIs

SMILES:
C12(c3c(C(C1(C)C)(CC2)C)nc1c(n3)cccc1)C(=O)Nc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)NC(=O)C12CCC(C2(C)C)(c2c1nc1ccccc1n2)C
InChI:
InChI=1S/C24H25N3O2/c1-22(2)23(3)12-13-24(22,21(28)25-15-8-7-9-16(14-15)29-4)20-19(23)26-17-10-5-6-11-18(17)27-20/h5-11,14H,12-13H2,1-4H3,(H,25,28)
InChIKey:
QBTSPCMQWRGXCW-UHFFFAOYSA-N

Cite this record

CBID:195567 http://www.chembase.cn/molecule-195567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
IUPAC Traditional name
N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
PubChem SID
164251477
PubChem CID
2951210

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2951210 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.206886  H Acceptors
H Donor LogD (pH = 5.5) 4.844253 
LogD (pH = 7.4) 4.8442597  Log P 4.8442607 
Molar Refractivity 111.3142 cm3 Polarizability 44.494236 Å3
Polar Surface Area 64.11 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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