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N-(4-methoxy-2-methylphenyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl}propanamide

ChemBase ID: 866190
Molecular Formular: C22H33N3O4
Molecular Mass: 403.51512
Monoisotopic Mass: 403.24710655
SMILES and InChIs

SMILES:
N1(C(=O)CCN2OCCC2)CC(CCC(=O)Nc2c(cc(cc2)OC)C)CCC1
Canonical SMILES:
COc1ccc(c(c1)C)NC(=O)CCC1CCCN(C1)C(=O)CCN1CCCO1
InChI:
InChI=1S/C22H33N3O4/c1-17-15-19(28-2)7-8-20(17)23-21(26)9-6-18-5-3-11-24(16-18)22(27)10-13-25-12-4-14-29-25/h7-8,15,18H,3-6,9-14,16H2,1-2H3,(H,23,26)
InChIKey:
FSIILRPKAZPSQL-UHFFFAOYSA-N

Cite this record

CBID:866190 http://www.chembase.cn/molecule-866190.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-methoxy-2-methylphenyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl}propanamide
IUPAC Traditional name
N-(4-methoxy-2-methylphenyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl}propanamide
Synonyms
3-{1-[3-(2-isoxazolidinyl)propanoyl]-3-piperidinyl}-N-(4-methoxy-2-methylphenyl)propanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66813033 external link Add to cart
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 14.988184  H Acceptors
H Donor LogD (pH = 5.5) 1.6211956 
LogD (pH = 7.4) 1.6213593  Log P 1.6213614 
Molar Refractivity 113.499 cm3 Polarizability 43.570538 Å3
Polar Surface Area 71.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.79  LOG S -3.03 
Polar Surface Area 71.11 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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