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3313-48-2 molecular structure
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2-amino-N-{[(naphthalen-2-yl)carbamoyl]methyl}acetamide

ChemBase ID: 102483
Molecular Formular: C14H15N3O2
Molecular Mass: 257.2878
Monoisotopic Mass: 257.11642674
SMILES and InChIs

SMILES:
NCC(=O)NCC(=O)Nc1ccc2ccccc2c1
Canonical SMILES:
NCC(=O)NCC(=O)Nc1ccc2c(c1)cccc2
InChI:
InChI=1S/C14H15N3O2/c15-8-13(18)16-9-14(19)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9,15H2,(H,16,18)(H,17,19)
InChIKey:
BJDWMUJHVVQXKQ-UHFFFAOYSA-N

Cite this record

CBID:102483 http://www.chembase.cn/molecule-102483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-{[(naphthalen-2-yl)carbamoyl]methyl}acetamide
IUPAC Traditional name
2-amino-N-{[(naphthalen-2-yl)carbamoyl]methyl}acetamide
Synonyms
GLY-GLY-β-NAPHTHYLAMIDE
CAS Number
3313-48-2
PubChem SID
162088444
PubChem CID
3956225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
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Data Source Data ID
PubChem 3956225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.77888  H Acceptors
H Donor LogD (pH = 5.5) -2.0899293 
LogD (pH = 7.4) -0.40163246  Log P 0.17101985 
Molar Refractivity 73.5344 cm3 Polarizability 29.132446 Å3
Polar Surface Area 84.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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