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164251380 molecular structure
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N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide

ChemBase ID: 195470
Molecular Formular: C21H29NO3
Molecular Mass: 343.45986
Monoisotopic Mass: 343.21474379
SMILES and InChIs

SMILES:
N(C(=O)CC)(CCC(c1occc1)C(C)C)Cc1ccc(cc1)OC
Canonical SMILES:
CCC(=O)N(Cc1ccc(cc1)OC)CCC(c1ccco1)C(C)C
InChI:
InChI=1S/C21H29NO3/c1-5-21(23)22(15-17-8-10-18(24-4)11-9-17)13-12-19(16(2)3)20-7-6-14-25-20/h6-11,14,16,19H,5,12-13,15H2,1-4H3
InChIKey:
DEVJIOLNJVXLNQ-UHFFFAOYSA-N

Cite this record

CBID:195470 http://www.chembase.cn/molecule-195470.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
IUPAC Traditional name
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem SID
164251380
PubChem CID
3844070

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3844070 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1430035  LogD (pH = 7.4) 4.1430044 
Log P 4.1430044  Molar Refractivity 100.0967 cm3
Polarizability 38.923073 Å3 Polar Surface Area 42.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
2 Diastereomers expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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