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164256117 molecular structure
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N-{3-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]propanoyl}-N-[(4-methoxyphenyl)methyl]acetamide

ChemBase ID: 200207
Molecular Formular: C23H35NO4
Molecular Mass: 389.5283
Monoisotopic Mass: 389.25660861
SMILES and InChIs

SMILES:
N(C(=O)CCC1(CC(OCC1)(C)C)C(C)C)(C(=O)C)Cc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CN(C(=O)CCC1(CCOC(C1)(C)C)C(C)C)C(=O)C
InChI:
InChI=1S/C23H35NO4/c1-17(2)23(13-14-28-22(4,5)16-23)12-11-21(26)24(18(3)25)15-19-7-9-20(27-6)10-8-19/h7-10,17H,11-16H2,1-6H3
InChIKey:
BFBSQGWEYIKZKQ-UHFFFAOYSA-N

Cite this record

CBID:200207 http://www.chembase.cn/molecule-200207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{3-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]propanoyl}-N-[(4-methoxyphenyl)methyl]acetamide
IUPAC Traditional name
N-[3-(4-isopropyl-2,2-dimethyloxan-4-yl)propanoyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem SID
164256117
PubChem CID
4355251

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4355251 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5317605  LogD (pH = 7.4) 3.5317605 
Log P 3.5317605  Molar Refractivity 110.6128 cm3
Polarizability 43.551147 Å3 Polar Surface Area 55.84 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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