3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea

C18H23N3O4 — CID 108874094

IUPAC3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C18H23N3O4/c1-20(9-10-22)18(25)19-12-7-8-14-15(11-12)17(24)21(16(14)23)13-5-3-2-4-6-13/h7-8,11,13,22H,2-6,9-10H2,1H3,(H,19,25)
InChIKeyKUWGJDSCAPUAAO-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.07
Rot. Bonds4

About 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea

3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 108874094) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID108874094
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C18H23N3O4/c1-20(9-10-22)18(25)19-12-7-8-14-15(11-12)17(24)21(16(14)23)13-5-3-2-4-6-13/h7-8,11,13,22H,2-6,9-10H2,1H3,(H,19,25)
InChIKeyKUWGJDSCAPUAAO-UHFFFAOYSA-N
XLogP2.07
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylphenyl)urea
CID 108873895
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108874092
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 118764186
(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide
CID 2233436
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 108873966
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
CID 2233800

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea (CID 108874094) is 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is KUWGJDSCAPUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-20(9-10-22)18(25)19-12-7-8-14-15(11-12)17(24)21(16(14)23)13-5-3-2-4-6-13/h7-8,11,13,22H,2-6,9-10H2,1H3,(H,19,25).
What are the key properties of 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea?
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 345.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 108874094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).