N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C18H26BrN3O2 — CID 71602887

IUPACN'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br
InChIInChI=1S/C18H26BrN3O2/c1-11-6-7-12(8-14(11)19)20-15(23)16(24)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBLKGRYMBTHUOLC-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.12
Rot. Bonds2

About N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 71602887) has the molecular formula C18H26BrN3O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID71602887
Molecular FormulaC18H26BrN3O2
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC NameN'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br
InChIInChI=1S/C18H26BrN3O2/c1-11-6-7-12(8-14(11)19)20-15(23)16(24)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBLKGRYMBTHUOLC-UHFFFAOYSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 6603420
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CID 16192783
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CID 16192960
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CID 16195183
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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 71602887) is N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br.
What is the InChIKey of N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is BLKGRYMBTHUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2/c1-11-6-7-12(8-14(11)19)20-15(23)16(24)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 396.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 71602887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).