N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C20H30ClN3O3 — CID 53326853

IUPACN'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC(C)Oc1cc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
InChIInChI=1S/C20H30ClN3O3/c1-12(2)27-16-9-13(7-8-15(16)21)22-17(25)18(26)23-14-10-19(3,4)24-20(5,6)11-14/h7-9,12,14,24H,10-11H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyVVLQAOMQALPNET-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.49
Rot. Bonds4

About N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 53326853) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID53326853
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC(C)Oc1cc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
InChIInChI=1S/C20H30ClN3O3/c1-12(2)27-16-9-13(7-8-15(16)21)22-17(25)18(26)23-14-10-19(3,4)24-20(5,6)11-14/h7-9,12,14,24H,10-11H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyVVLQAOMQALPNET-UHFFFAOYSA-N
XLogP3.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-3-hydroxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 71590634
N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2880292
N'-(4-acetylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108514763
N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522496
N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108508719
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 7380284
N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501383
N-(4-chloro-3-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 86574555
N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
CID 46200212
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522018
N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522624

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 53326853) is N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC(C)Oc1cc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl.
What is the InChIKey of N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is VVLQAOMQALPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-12(2)27-16-9-13(7-8-15(16)21)22-17(25)18(26)23-14-10-19(3,4)24-20(5,6)11-14/h7-9,12,14,24H,10-11H2,1-6H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 395.93 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 53326853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).