1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea

C24H30N4O2 — CID 11704173

IUPAC1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
SMILESC=Cc1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(C=C)cc2)cc1
InChIInChI=1S/C24H30N4O2/c1-3-19-9-13-21(14-10-19)27-23(29)25-17-7-5-6-8-18-26-24(30)28-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyHTJNWMSOOGELAE-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.48
Rot. Bonds11

About 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea

1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea (PubChem CID 11704173) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
PubChem CID11704173
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
SMILESC=Cc1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(C=C)cc2)cc1
InChIInChI=1S/C24H30N4O2/c1-3-19-9-13-21(14-10-19)27-23(29)25-17-7-5-6-8-18-26-24(30)28-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyHTJNWMSOOGELAE-UHFFFAOYSA-N
XLogP5.48
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chlorohexyl)-3-[4-(2-phenylethenyl)phenyl]urea
CID 5240562
7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid
CID 54195000
N,N'-bis(4-ethenylphenyl)butanediamide
CID 12519604
(4-ethenylphenyl)carbamic acid
CID 22352089
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
[7-[(4-ethenylphenyl)carbamoylamino]-4-(isocyanatomethyl)heptyl] cyanate
CID 58114794
(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide
CID 68876188
1-dodecyl-3-phenylurea
CID 3697946
N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea?
The IUPAC name of 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea (CID 11704173) is 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea.
What is the SMILES notation for 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea?
The canonical SMILES for 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea is C=Cc1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea?
The InChIKey is HTJNWMSOOGELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-19-9-13-21(14-10-19)27-23(29)25-17-7-5-6-8-18-26-24(30)28-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea?
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea has a molecular weight of 406.53 g/mol, XLogP of 5.48, 11 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea is sourced from PubChem (CID 11704173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).