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N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide

ChemBase ID: 420135
Molecular Formular: C17H23N3O2
Molecular Mass: 301.38342
Monoisotopic Mass: 301.17902699
SMILES and InChIs

SMILES:
c1(c[nH]c2c1cccc2)C(=O)NCCC1OCCN(C1)CC
Canonical SMILES:
CCN1CCOC(C1)CCNC(=O)c1c[nH]c2c1cccc2
InChI:
InChI=1S/C17H23N3O2/c1-2-20-9-10-22-13(12-20)7-8-18-17(21)15-11-19-16-6-4-3-5-14(15)16/h3-6,11,13,19H,2,7-10,12H2,1H3,(H,18,21)
InChIKey:
VNJJUVCJWVZVAF-UHFFFAOYSA-N

Cite this record

CBID:420135 http://www.chembase.cn/molecule-420135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
IUPAC Traditional name
N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
Synonyms
N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide

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 12.419027  H Acceptors
H Donor LogD (pH = 5.5) -0.5353545 
LogD (pH = 7.4) 1.0877862  Log P 1.423003 
Molar Refractivity 87.4974 cm3 Polarizability 34.599247 Å3
Polar Surface Area 57.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.57  LOG S -2.74 
Polar Surface Area 57.36 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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