1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride

C24H34ClN3O — CID 69218851

IUPAC1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)NCCCc2ccccc2)CC1.Cl
InChIInChI=1S/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H
InChIKeyJNGFPKZZBXTCME-UHFFFAOYSA-N
MW416.01 g/mol
LogP4.74
Rot. Bonds7

About 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride

1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride (PubChem CID 69218851) has the molecular formula C24H34ClN3O and a molecular weight of 416.01 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride
PubChem CID69218851
Molecular FormulaC24H34ClN3O
Molecular Weight416.01 g/mol
Exact Mass415.24
IUPAC Name1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)NCCCc2ccccc2)CC1.Cl
InChIInChI=1S/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H
InChIKeyJNGFPKZZBXTCME-UHFFFAOYSA-N
XLogP4.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.01
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
N-(Diphenylmethyl)urea
CID 95253
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenyl-propyl)-pyrrolidinium
CID 16125331
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 4079580
Urea, N,N'-bis(diphenylmethyl)-
CID 201756
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
1-[1-Methyl-1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]-4,4-diphenylimidazolidin-2-one bromide
CID 44420794
1-N,1-N-dimethyl-1-phenyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine;dihydrochloride
CID 122177286

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride?
The IUPAC name of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride (CID 69218851) is 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride.
What is the SMILES notation for 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride?
The canonical SMILES for 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride is CN(C)C1(c2ccccc2)CCC(NC(=O)NCCCc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride?
The InChIKey is JNGFPKZZBXTCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H.
What are the key properties of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride?
1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride has a molecular weight of 416.01 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride is sourced from PubChem (CID 69218851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).