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3-butyl-1-(1-cycloheptyl-5-oxopyrrolidin-3-yl)urea

ChemBase ID: 470654
Molecular Formular: C16H29N3O2
Molecular Mass: 295.42036
Monoisotopic Mass: 295.22597718
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1)NC(=O)NCCCC)C1CCCCCC1
Canonical SMILES:
CCCCNC(=O)NC1CC(=O)N(C1)C1CCCCCC1
InChI:
InChI=1S/C16H29N3O2/c1-2-3-10-17-16(21)18-13-11-15(20)19(12-13)14-8-6-4-5-7-9-14/h13-14H,2-12H2,1H3,(H2,17,18,21)
InChIKey:
OHESAONAJQOYKU-UHFFFAOYSA-N

Cite this record

CBID:470654 http://www.chembase.cn/molecule-470654.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-butyl-1-(1-cycloheptyl-5-oxopyrrolidin-3-yl)urea
IUPAC Traditional name
3-butyl-1-(1-cycloheptyl-5-oxopyrrolidin-3-yl)urea
Synonyms
N-butyl-N'-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)urea

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.299163  H Acceptors
H Donor LogD (pH = 5.5) 1.894904 
LogD (pH = 7.4) 1.8949041  Log P 1.8949041 
Molar Refractivity 82.5256 cm3 Polarizability 32.302937 Å3
Polar Surface Area 61.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.96  LOG S -3.63 
Polar Surface Area 61.44 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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