1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea

C22H23N3O3 — CID 108873895

IUPAC1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C22H23N3O3/c1-14-7-9-15(10-8-14)23-22(28)24-16-11-12-18-19(13-16)21(27)25(20(18)26)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H2,23,24,28)
InChIKeyHQHDDCFUVFVTGO-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.57
Rot. Bonds3

About 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea

1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea (PubChem CID 108873895) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
PubChem CID108873895
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C22H23N3O3/c1-14-7-9-15(10-8-14)23-22(28)24-16-11-12-18-19(13-16)21(27)25(20(18)26)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H2,23,24,28)
InChIKeyHQHDDCFUVFVTGO-UHFFFAOYSA-N
XLogP4.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.57
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-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108873909
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891
1-[1-(1-adamantyl)ethyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108873963
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 108874094
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 108873966
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
CID 108874248
2-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 108873974
1-[(3-bromophenyl)methyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108874226

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea (CID 108873895) is 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.
What is the InChIKey of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea?
The InChIKey is HQHDDCFUVFVTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-7-9-15(10-8-14)23-22(28)24-16-11-12-18-19(13-16)21(27)25(20(18)26)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H2,23,24,28).
What are the key properties of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea?
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea has a molecular weight of 377.44 g/mol, XLogP of 4.57, 3 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-(4-methylphenyl)urea is sourced from PubChem (CID 108873895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).