N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C19H28ClN3O2 — CID 2054716

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C19H28ClN3O2/c1-18(2)11-15(12-19(3,4)23-18)22-17(25)16(24)21-10-9-13-5-7-14(20)8-6-13/h5-8,15,23H,9-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyTYJLEFUSUFVKJU-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 2054716) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID2054716
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C19H28ClN3O2/c1-18(2)11-15(12-19(3,4)23-18)22-17(25)16(24)21-10-9-13-5-7-14(20)8-6-13/h5-8,15,23H,9-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyTYJLEFUSUFVKJU-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.42
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-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 2054716) is N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC(C)(C)N1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is TYJLEFUSUFVKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-18(2)11-15(12-19(3,4)23-18)22-17(25)16(24)21-10-9-13-5-7-14(20)8-6-13/h5-8,15,23H,9-12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 365.91 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 2054716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).