1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea

C18H23N3O3 — CID 108872072

IUPAC1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
SMILESCC(C)N1C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C18H23N3O3/c1-11(2)21-16(22)14-9-8-13(10-15(14)17(21)23)20-18(24)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,19,20,24)
InChIKeyZBCNDUGBCJJHDQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.15
Rot. Bonds3

About 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea

1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea (PubChem CID 108872072) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
PubChem CID108872072
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
SMILESCC(C)N1C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C18H23N3O3/c1-11(2)21-16(22)14-9-8-13(10-15(14)17(21)23)20-18(24)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,19,20,24)
InChIKeyZBCNDUGBCJJHDQ-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(4-ethoxyphenyl)urea
CID 108872137
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24664745
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 55877600
3-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)carbamoylamino]propanoic acid
CID 108872035
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-ethylphenyl)urea
CID 108872274
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664740
1-benzyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872101
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(4-hydroxy-2-methylphenyl)urea
CID 108872104
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(3-ethoxypropyl)urea
CID 108872079
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea (CID 108872072) is 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea is CC(C)N1C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2C1=O.
What is the InChIKey of 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea?
The InChIKey is ZBCNDUGBCJJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)21-16(22)14-9-8-13(10-15(14)17(21)23)20-18(24)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea?
1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea has a molecular weight of 329.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea is sourced from PubChem (CID 108872072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).