1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea

C24H24N4O5 — CID 176565051

IUPAC1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea
SMILESCc1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C24H24N4O5/c1-13-5-4-6-14(11-13)24(2,3)27-23(33)25-15-7-8-16-17(12-15)22(32)28(21(16)31)18-9-10-19(29)26-20(18)30/h4-8,11-12,18H,9-10H2,1-3H3,(H2,25,27,33)(H,26,29,30)
InChIKeyQNDYQJLBRHASJJ-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea

1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea (PubChem CID 176565051) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea
PubChem CID176565051
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea
SMILESCc1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C24H24N4O5/c1-13-5-4-6-14(11-13)24(2,3)27-23(33)25-15-7-8-16-17(12-15)22(32)28(21(16)31)18-9-10-19(29)26-20(18)30/h4-8,11-12,18H,9-10H2,1-3H3,(H2,25,27,33)(H,26,29,30)
InChIKeyQNDYQJLBRHASJJ-UHFFFAOYSA-N
XLogP2.45
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]urea
CID 176565048
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(4-phenyl-1,3-benzothiazol-2-yl)propan-2-yl]urea
CID 178049177
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CID 159636176
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
CID 166426870
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-[2-methyl-2-(3-methylphenyl)propyl]urea
CID 166426747
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
CID 166426864
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(7-fluoro-4-methoxy-1,3-benzothiazol-2-yl)propan-2-yl]urea
CID 178048991
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
CID 171393695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea (CID 176565051) is 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea is Cc1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.
What is the InChIKey of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea?
The InChIKey is QNDYQJLBRHASJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-13-5-4-6-14(11-13)24(2,3)27-23(33)25-15-7-8-16-17(12-15)22(32)28(21(16)31)18-9-10-19(29)26-20(18)30/h4-8,11-12,18H,9-10H2,1-3H3,(H2,25,27,33)(H,26,29,30).
What are the key properties of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea?
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea has a molecular weight of 448.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea is sourced from PubChem (CID 176565051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).