1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea

C23H26N4O3 — CID 170156101

IUPAC1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
SMILESCc1cc(C)cc(NC(=O)NC2CN(c3ccc([C@@H]4CCC(=O)NC4=O)cc3)C2)c1
InChIInChI=1S/C23H26N4O3/c1-14-9-15(2)11-17(10-14)24-23(30)25-18-12-27(13-18)19-5-3-16(4-6-19)20-7-8-21(28)26-22(20)29/h3-6,9-11,18,20H,7-8,12-13H2,1-2H3,(H2,24,25,30)(H,26,28,29)/t20-/m0/s1
InChIKeyDPRKHFLQHCTSPV-FQEVSTJZSA-N
MW406.49 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea

1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea (PubChem CID 170156101) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
PubChem CID170156101
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
SMILESCc1cc(C)cc(NC(=O)NC2CN(c3ccc([C@@H]4CCC(=O)NC4=O)cc3)C2)c1
InChIInChI=1S/C23H26N4O3/c1-14-9-15(2)11-17(10-14)24-23(30)25-18-12-27(13-18)19-5-3-16(4-6-19)20-7-8-21(28)26-22(20)29/h3-6,9-11,18,20H,7-8,12-13H2,1-2H3,(H2,24,25,30)(H,26,28,29)/t20-/m0/s1
InChIKeyDPRKHFLQHCTSPV-FQEVSTJZSA-N
XLogP2.83
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-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-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170155963
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
CID 178116591
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737838
tert-butyl 8-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164540869
3-[4-[3-[(1R,6S)-2,5-diazabicyclo[4.1.0]heptan-2-yl]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 177361985
3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
CID 178015398

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea (CID 170156101) is 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea is Cc1cc(C)cc(NC(=O)NC2CN(c3ccc([C@@H]4CCC(=O)NC4=O)cc3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
The InChIKey is DPRKHFLQHCTSPV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14-9-15(2)11-17(10-14)24-23(30)25-18-12-27(13-18)19-5-3-16(4-6-19)20-7-8-21(28)26-22(20)29/h3-6,9-11,18,20H,7-8,12-13H2,1-2H3,(H2,24,25,30)(H,26,28,29)/t20-/m0/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea has a molecular weight of 406.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea is sourced from PubChem (CID 170156101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).