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(2R)-1-[(4,8-dimethoxynaphthalen-1-yl)methyl]pyrrolidine-2-carboxamide

ChemBase ID: 340089
Molecular Formular: C18H22N2O3
Molecular Mass: 314.37888
Monoisotopic Mass: 314.16304257
SMILES and InChIs

SMILES:
N1(Cc2c3c(c(cc2)OC)cccc3OC)[C@@H](C(=O)N)CCC1
Canonical SMILES:
COc1cccc2c1c(ccc2OC)CN1CCC[C@@H]1C(=O)N
InChI:
InChI=1S/C18H22N2O3/c1-22-15-9-8-12(11-20-10-4-6-14(20)18(19)21)17-13(15)5-3-7-16(17)23-2/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H2,19,21)/t14-/m1/s1
InChIKey:
MGTBOMUGESUTFX-CQSZACIVSA-N

Cite this record

CBID:340089 http://www.chembase.cn/molecule-340089.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-1-[(4,8-dimethoxynaphthalen-1-yl)methyl]pyrrolidine-2-carboxamide
IUPAC Traditional name
(2R)-1-[(4,8-dimethoxynaphthalen-1-yl)methyl]pyrrolidine-2-carboxamide
Synonyms
1-[(4,8-dimethoxy-1-naphthyl)methyl]-D-prolinamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.82976  H Acceptors
H Donor LogD (pH = 5.5) -0.21237536 
LogD (pH = 7.4) 1.4631509  Log P 1.8775712 
Molar Refractivity 89.1704 cm3 Polarizability 35.92981 Å3
Polar Surface Area 64.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.46  LOG S -2.74 
Polar Surface Area 64.79 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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