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N-[(2,4-dimethoxyphenyl)methyl]-3-{1-[3-(1,2-oxazinan-2-yl)propanoyl]piperidin-3-yl}propanamide

ChemBase ID: 340464
Molecular Formular: C24H37N3O5
Molecular Mass: 447.56768
Monoisotopic Mass: 447.2733213
SMILES and InChIs

SMILES:
N1(C(=O)CCN2OCCCC2)CC(CCC(=O)NCc2c(cc(cc2)OC)OC)CCC1
Canonical SMILES:
COc1cc(OC)ccc1CNC(=O)CCC1CCCN(C1)C(=O)CCN1CCCCO1
InChI:
InChI=1S/C24H37N3O5/c1-30-21-9-8-20(22(16-21)31-2)17-25-23(28)10-7-19-6-5-12-26(18-19)24(29)11-14-27-13-3-4-15-32-27/h8-9,16,19H,3-7,10-15,17-18H2,1-2H3,(H,25,28)
InChIKey:
DQDXTNLPVSVKGL-UHFFFAOYSA-N

Cite this record

CBID:340464 http://www.chembase.cn/molecule-340464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2,4-dimethoxyphenyl)methyl]-3-{1-[3-(1,2-oxazinan-2-yl)propanoyl]piperidin-3-yl}propanamide
IUPAC Traditional name
N-[(2,4-dimethoxyphenyl)methyl]-3-{1-[3-(1,2-oxazinan-2-yl)propanoyl]piperidin-3-yl}propanamide
Synonyms
N-(2,4-dimethoxybenzyl)-3-{1-[3-(1,2-oxazinan-2-yl)propanoyl]-3-piperidinyl}propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.390002  H Acceptors
H Donor LogD (pH = 5.5) 1.1739129 
LogD (pH = 7.4) 1.1745282  Log P 1.1745361 
Molar Refractivity 122.6198 cm3 Polarizability 48.023388 Å3
Polar Surface Area 80.34 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.22  LOG S -2.77 
Polar Surface Area 80.34 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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