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4-(carbamoylmethyl)-N-[3-(4-methylphenyl)phenyl]piperazine-1-carboxamide

ChemBase ID: 865739
Molecular Formular: C20H24N4O2
Molecular Mass: 352.43016
Monoisotopic Mass: 352.18992603
SMILES and InChIs

SMILES:
C(=O)(N1CCN(CC(=O)N)CC1)Nc1cc(c2ccc(cc2)C)ccc1
Canonical SMILES:
NC(=O)CN1CCN(CC1)C(=O)Nc1cccc(c1)c1ccc(cc1)C
InChI:
InChI=1S/C20H24N4O2/c1-15-5-7-16(8-6-15)17-3-2-4-18(13-17)22-20(26)24-11-9-23(10-12-24)14-19(21)25/h2-8,13H,9-12,14H2,1H3,(H2,21,25)(H,22,26)
InChIKey:
CYEOZDRJPXVBKR-UHFFFAOYSA-N

Cite this record

CBID:865739 http://www.chembase.cn/molecule-865739.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(carbamoylmethyl)-N-[3-(4-methylphenyl)phenyl]piperazine-1-carboxamide
IUPAC Traditional name
4-(carbamoylmethyl)-N-[3-(4-methylphenyl)phenyl]piperazine-1-carboxamide
Synonyms
4-(2-amino-2-oxoethyl)-N-(4'-methylbiphenyl-3-yl)piperazine-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66729266 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Lipinski's Rule of Five true  Acid pKa 13.265158 
H Acceptors H Donor
LogD (pH = 5.5) 1.735243  LogD (pH = 7.4) 1.9989188 
Log P 2.0035698  Molar Refractivity 103.5254 cm3
Polarizability 40.2731 Å3 Polar Surface Area 78.67 Å2
Rotatable Bonds
H Acceptors H Donor
Log P 2.04  LOG S -3.51 
Polar Surface Area 78.67 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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