N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide

C23H33N3O3 — CID 176968678

IUPACN-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCCCCC1(CC)CN(c2ccc(N(C(C)=O)C3CCC(=O)NC3=O)c(C)c2)C1
InChIInChI=1S/C23H33N3O3/c1-5-7-12-23(6-2)14-25(15-23)18-8-9-19(16(3)13-18)26(17(4)27)20-10-11-21(28)24-22(20)29/h8-9,13,20H,5-7,10-12,14-15H2,1-4H3,(H,24,28,29)
InChIKeyUEHIVCFMUROGFH-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.56
Rot. Bonds7

About N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide

N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 176968678) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID176968678
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCCCCC1(CC)CN(c2ccc(N(C(C)=O)C3CCC(=O)NC3=O)c(C)c2)C1
InChIInChI=1S/C23H33N3O3/c1-5-7-12-23(6-2)14-25(15-23)18-8-9-19(16(3)13-18)26(17(4)27)20-10-11-21(28)24-22(20)29/h8-9,13,20H,5-7,10-12,14-15H2,1-4H3,(H,24,28,29)
InChIKeyUEHIVCFMUROGFH-UHFFFAOYSA-N
XLogP3.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592
3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione
CID 177362260
N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide
CID 176968166
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217
N-(2,6-dioxopiperidin-3-yl)-N-(4-methoxythiophen-2-yl)acetamide
CID 175831646
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
3-[3-oxo-6-(4-pentylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178099790
(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
CID 167470652
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
[2-[[1-[4-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-3-methylphenyl]piperidin-4-yl]methyl]-2-azaspiro[3.5]nonan-7-yl] formate
CID 176695445
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 176968678) is N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide is CCCCC1(CC)CN(c2ccc(N(C(C)=O)C3CCC(=O)NC3=O)c(C)c2)C1.
What is the InChIKey of N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is UEHIVCFMUROGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-5-7-12-23(6-2)14-25(15-23)18-8-9-19(16(3)13-18)26(17(4)27)20-10-11-21(28)24-22(20)29/h8-9,13,20H,5-7,10-12,14-15H2,1-4H3,(H,24,28,29).
What are the key properties of N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 176968678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).