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MFCD06803219 molecular structure
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N-methyl-5-[(methylamino)methyl]furan-2-carboxamide

ChemBase ID: 270535
Molecular Formular: C8H12N2O2
Molecular Mass: 168.19308
Monoisotopic Mass: 168.08987763
SMILES and InChIs

SMILES:
c1(oc(cc1)CNC)C(=O)NC
Canonical SMILES:
CNCc1ccc(o1)C(=O)NC
InChI:
InChI=1S/C8H12N2O2/c1-9-5-6-3-4-7(12-6)8(11)10-2/h3-4,9H,5H2,1-2H3,(H,10,11)
InChIKey:
NMODYIFATKWVQB-UHFFFAOYSA-N

Cite this record

CBID:270535 http://www.chembase.cn/molecule-270535.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-5-[(methylamino)methyl]furan-2-carboxamide
IUPAC Traditional name
N-methyl-5-[(methylamino)methyl]furan-2-carboxamide
Synonyms
N-methyl-5-[(methylamino)methyl]furan-2-carboxamide
MDL Number
MFCD06803219
PubChem SID
164326445
PubChem CID
50989062

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69465 external link Add to cart Please log in.
Data Source Data ID
PubChem 50989062 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 54.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 13.807669 
H Acceptors H Donor
LogD (pH = 5.5) -2.7620752  LogD (pH = 7.4) -1.0366521 
Log P -0.41384122  Molar Refractivity 45.5495 cm3
Polarizability 17.107695 Å3

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
65 - 67°C expand Show data source
Hydrophobicity(logP)
-0.595 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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