N-(Cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)carbamimidic acid

HCID 3072997
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Basic information

CAS
145410-51-1
Standard SMILES
CCc1cccc(CC)c1NC(=O)N(CC1CCCCC1)C1CCC(c2ccccc2)CC1
InChIKey
JEGOWZPPTDFWFH-UHFFFAOYSA-N
Molecular formula
C30H42N2O
Average molar mass
446.7 g/mol
Monoisotopic mass
446.32971396

Names & identifiers

Preferred name
N-(Cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)carbamimidic acid
IUPAC
1-(cyclohexylmethyl)-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
English name
1-(cyclohexylmethyl)-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
Molecular formula
C30H42N2O
Molecular weight
446.67

Names & synonyms

145410-51-1DTXSID70932586N-(Cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)carbamimidic acidRefChem:1091415DTXCID901361274trans-N-(2,6-Diethylphenyl)-N'-cyclohexylmethyl-N'-(4-phenylcyclohexyl)ureatrans-N-(Cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)ureaUrea, N-(cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)-, trans-JEGOWZPPTDFWFH-UHFFFAOYSA-N1-(cyclohexylmethyl)-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)ureaSCHEMBL9268082SCHEMBL9268085
Show more names
Urea, N-(cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)-, trans- (9CI)
N-(2,6-diethylphenyl)-N'-cyclohexylmethyl-N'-(4-phenylcyclohexyl)urea

Database identifiers

CAS
145410-51-1
PubChem CID
3072997
DTXSID
DTXSID70932586

Properties

Computed structural properties

XLogP
8.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
33

Physicochemical properties

Boiling point
615.3 · 615.3±55.0 °C(Predicted)
Density
1.07 · 1.07±0.1 g/cm3(Predicted)
pka
14.94 · 14.94±0.70(Predicted)

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

1 records
New reaction record

Compound notes

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