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

C22H23N3O3 — CID 110352303

IUPAC1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C22H23N3O3/c1-14-11-12-16(25-20(26)17-9-5-6-10-18(17)21(25)27)13-19(14)24-22(28)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,23,24,28)
InChIKeyTXEOZSFABUDBPX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.25
Rot. Bonds3

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

1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea (PubChem CID 110352303) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea
PubChem CID110352303
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C22H23N3O3/c1-14-11-12-16(25-20(26)17-9-5-6-10-18(17)21(25)27)13-19(14)24-22(28)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,23,24,28)
InChIKeyTXEOZSFABUDBPX-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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

N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
CID 56509969
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
CID 110352312
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
CID 100744542
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168517830
1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
CID 143698611
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
CID 5011815
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea (CID 110352303) is 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea is Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea?
The InChIKey is TXEOZSFABUDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-11-12-16(25-20(26)17-9-5-6-10-18(17)21(25)27)13-19(14)24-22(28)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,23,24,28).
What are the key properties of 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea?
1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea has a molecular weight of 377.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea is sourced from PubChem (CID 110352303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).