N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C21H33N3O2 — CID 108522629

IUPACN'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H33N3O2/c1-7-14(2)16-10-8-9-11-17(16)23-19(26)18(25)22-15-12-20(3,4)24-21(5,6)13-15/h8-11,14-15,24H,7,12-13H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyXNSNBMUDNGSGIO-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.56
Rot. Bonds4

About N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 108522629) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID108522629
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H33N3O2/c1-7-14(2)16-10-8-9-11-17(16)23-19(26)18(25)22-15-12-20(3,4)24-21(5,6)13-15/h8-11,14-15,24H,7,12-13H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyXNSNBMUDNGSGIO-UHFFFAOYSA-N
XLogP3.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.56
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

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
N-(2-butan-2-ylphenyl)adamantane-1-carboxamide
CID 4795537
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522018
N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522624
N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509668

Frequently Asked Questions

What is the IUPAC name of N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 108522629) is N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CCC(C)c1ccccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is XNSNBMUDNGSGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-7-14(2)16-10-8-9-11-17(16)23-19(26)18(25)22-15-12-20(3,4)24-21(5,6)13-15/h8-11,14-15,24H,7,12-13H2,1-6H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 359.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108522629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).