1-cyclohexyl-3-(3-phenylpropyl)urea

C16H24N2O — CID 4358

IUPAC1-cyclohexyl-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
InChIKeyHBTZVNKXMFGOOJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclohexyl-3-(3-phenylpropyl)urea

1-cyclohexyl-3-(3-phenylpropyl)urea (PubChem CID 4358) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-phenylpropyl)urea
PubChem CID4358
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclohexyl-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
InChIKeyHBTZVNKXMFGOOJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Formetamide
CID 65614
Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
N-cyclohexyl-4-phenylbutanamide
CID 288831
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-(Diphenylmethyl)urea
CID 95253
1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-phenylpropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-phenylpropyl)urea (CID 4358) is 1-cyclohexyl-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-phenylpropyl)urea?
The InChIKey is HBTZVNKXMFGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(3-phenylpropyl)urea?
1-cyclohexyl-3-(3-phenylpropyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-phenylpropyl)urea is sourced from PubChem (CID 4358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).