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

C21H24N2O — CID 3772878

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
SMILESO=C(NCCC1=CCCCC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H24N2O/c24-21(22-16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h2,5-9,11-14H,1,3-4,10,15-16H2,(H2,22,23,24)
InChIKeyBFWKLMZWEDPTSL-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.37
Rot. Bonds5

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

1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea (PubChem CID 3772878) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
PubChem CID3772878
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
SMILESO=C(NCCC1=CCCCC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H24N2O/c24-21(22-16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h2,5-9,11-14H,1,3-4,10,15-16H2,(H2,22,23,24)
InChIKeyBFWKLMZWEDPTSL-UHFFFAOYSA-N
XLogP5.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.37
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

1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 60577294
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
(2R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 114009597
1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea (CID 3772878) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea is O=C(NCCC1=CCCCC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea?
The InChIKey is BFWKLMZWEDPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(22-16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h2,5-9,11-14H,1,3-4,10,15-16H2,(H2,22,23,24).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea has a molecular weight of 320.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 3772878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).