1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea

C24H27N3O3 — CID 108874248

IUPAC1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H27N3O3/c28-22-20-14-13-18(16-21(20)23(29)27(22)19-11-5-2-6-12-19)26-24(30)25-15-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,13-14,16,19H,2,5-7,10-12,15H2,(H2,25,26,30)
InChIKeyJTCKWEKYMIXWQG-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.37
Rot. Bonds6

About 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea

1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea (PubChem CID 108874248) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
PubChem CID108874248
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H27N3O3/c28-22-20-14-13-18(16-21(20)23(29)27(22)19-11-5-2-6-12-19)26-24(30)25-15-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,13-14,16,19H,2,5-7,10-12,15H2,(H2,25,26,30)
InChIKeyJTCKWEKYMIXWQG-UHFFFAOYSA-N
XLogP4.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(3-phenylpropyl)urea
CID 108872760
1-[(3-bromophenyl)methyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108874226
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108874028
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide
CID 2233436
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-phenylethyl)urea
CID 108872082
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
CID 2233800

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea (CID 108874248) is 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea?
The InChIKey is JTCKWEKYMIXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22-20-14-13-18(16-21(20)23(29)27(22)19-11-5-2-6-12-19)26-24(30)25-15-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,13-14,16,19H,2,5-7,10-12,15H2,(H2,25,26,30).
What are the key properties of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea?
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea has a molecular weight of 405.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108874248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).