N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane

C18H25BrN2O3 — CID 176968592

IUPACN-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
SMILESCC.CCCC(=O)N(c1ccc(Br)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C16H19BrN2O3.C2H6/c1-3-4-15(21)19(12-6-5-11(17)9-10(12)2)13-7-8-14(20)18-16(13)22;1-2/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,20,22);1-2H3
InChIKeyCZHIKGXLEXFXHQ-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.72
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane

N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane (PubChem CID 176968592) has the molecular formula C18H25BrN2O3 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
PubChem CID176968592
Molecular FormulaC18H25BrN2O3
Molecular Weight397.31 g/mol
Exact Mass396.10
IUPAC NameN-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
SMILESCC.CCCC(=O)N(c1ccc(Br)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C16H19BrN2O3.C2H6/c1-3-4-15(21)19(12-6-5-11(17)9-10(12)2)13-7-8-14(20)18-16(13)22;1-2/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,20,22);1-2H3
InChIKeyCZHIKGXLEXFXHQ-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide
CID 176968166
N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 176968678
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 134579839
(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
CID 167470652
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
1-[4-(3-bromopropyl)phenyl]-1-(2,6-dioxopiperidin-3-yl)-3-methylurea
CID 156858771
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
CID 60575142
2-(3-bromophenyl)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylacetamide
CID 98127581

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane (CID 176968592) is N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane is CC.CCCC(=O)N(c1ccc(Br)cc1C)C1CCC(=O)NC1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane?
The InChIKey is CZHIKGXLEXFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3.C2H6/c1-3-4-15(21)19(12-6-5-11(17)9-10(12)2)13-7-8-14(20)18-16(13)22;1-2/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,20,22);1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane?
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane has a molecular weight of 397.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane is sourced from PubChem (CID 176968592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).