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1403783-31-2 molecular structure
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4-{[butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamide

ChemBase ID: 313195
Molecular Formular: C19H23N3O3
Molecular Mass: 341.40422
Monoisotopic Mass: 341.17394161
SMILES and InChIs

SMILES:
c1cccc(c1)NC(=O)N(Cc1ccc(cc1)C(=O)NO)CCCC
Canonical SMILES:
CCCCN(C(=O)Nc1ccccc1)Cc1ccc(cc1)C(=O)NO
InChI:
InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
InChIKey:
JZWXMCPARMXZQV-UHFFFAOYSA-N

Cite this record

CBID:313195 http://www.chembase.cn/molecule-313195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{[butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamide
IUPAC Traditional name
4-{[butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamide
Synonyms
Nexturastat A
CAS Number
1403783-31-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S7473 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.648046  H Acceptors
H Donor LogD (pH = 5.5) 3.2205627 
LogD (pH = 7.4) 3.2181578  Log P 3.2205935 
Molar Refractivity 98.7203 cm3 Polarizability 36.75199 Å3
Polar Surface Area 81.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Nexturastat A expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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