1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea

C16H22N2O — CID 11747292

IUPAC1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESO=C(NCCC1=CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H22N2O/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5-7,9-10H,1,3-4,8,11-13H2,(H2,17,18,19)
InChIKeyFTARAZRYAZOORI-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.38
Rot. Bonds5

About 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea

1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea (PubChem CID 11747292) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea
PubChem CID11747292
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESO=C(NCCC1=CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H22N2O/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5-7,9-10H,1,3-4,8,11-13H2,(H2,17,18,19)
InChIKeyFTARAZRYAZOORI-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 80654
Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Benzylurea
CID 10853
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea (CID 11747292) is 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea is O=C(NCCC1=CCCCC1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea?
The InChIKey is FTARAZRYAZOORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5-7,9-10H,1,3-4,8,11-13H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea?
1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea has a molecular weight of 258.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(cyclohexen-1-yl)ethyl]urea is sourced from PubChem (CID 11747292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).