1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea

C25H30N4O3 — CID 108874139

IUPAC1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C25H30N4O3/c1-3-28(4-2)19-13-10-17(11-14-19)26-25(32)27-18-12-15-21-22(16-18)24(31)29(23(21)30)20-8-6-5-7-9-20/h10-16,20H,3-9H2,1-2H3,(H2,26,27,32)
InChIKeyFCNOBQXRHCDWBF-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.11
Rot. Bonds6

About 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea

1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea (PubChem CID 108874139) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
PubChem CID108874139
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C25H30N4O3/c1-3-28(4-2)19-13-10-17(11-14-19)26-25(32)27-18-12-15-21-22(16-18)24(31)29(23(21)30)20-8-6-5-7-9-20/h10-16,20H,3-9H2,1-2H3,(H2,26,27,32)
InChIKeyFCNOBQXRHCDWBF-UHFFFAOYSA-N
XLogP5.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-propan-2-ylphenyl)urea
CID 108873904
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 108874094
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891
(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide
CID 2233436
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108873909
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
1-[1-(1-adamantyl)ethyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108873963
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea?
The IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea (CID 108874139) is 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea is CCN(CC)c1ccc(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-(diethylamino)phenyl]urea?
The InChIKey is FCNOBQXRHCDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-28(4-2)19-13-10-17(11-14-19)26-25(32)27-18-12-15-21-22(16-18)24(31)29(23(21)30)20-8-6-5-7-9-20/h10-16,20H,3-9H2,1-2H3,(H2,26,27,32).
What are the key properties of 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea?
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea has a molecular weight of 434.54 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea is sourced from PubChem (CID 108874139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).