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

C18H26ClN3O2 — CID 53320431

IUPACN'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26ClN3O2/c1-11-8-12(19)6-7-14(11)21-16(24)15(23)20-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyMUPDVGPTPNUALT-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.01
Rot. Bonds2

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

N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 53320431) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID53320431
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26ClN3O2/c1-11-8-12(19)6-7-14(11)21-16(24)15(23)20-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyMUPDVGPTPNUALT-UHFFFAOYSA-N
XLogP3.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 53320431) is N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is MUPDVGPTPNUALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-11-8-12(19)6-7-14(11)21-16(24)15(23)20-13-9-17(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'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 351.88 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 53320431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).