N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide

C27H45N3O4 — CID 19831358

IUPACN'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide
SMILESCCCCCCCCON1C(C)(C)CC(NC(=O)C(=O)Nc2ccccc2OCC)CC1(C)C
InChIInChI=1S/C27H45N3O4/c1-7-9-10-11-12-15-18-34-30-26(3,4)19-21(20-27(30,5)6)28-24(31)25(32)29-22-16-13-14-17-23(22)33-8-2/h13-14,16-17,21H,7-12,15,18-20H2,1-6H3,(H,28,31)(H,29,32)
InChIKeyAEHQLWPWTNMPSF-UHFFFAOYSA-N
MW475.67 g/mol
LogP5.45
Rot. Bonds12

About N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide

N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide (PubChem CID 19831358) has the molecular formula C27H45N3O4 and a molecular weight of 475.67 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide
PubChem CID19831358
Molecular FormulaC27H45N3O4
Molecular Weight475.67 g/mol
Exact Mass475.34
IUPAC NameN'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide
SMILESCCCCCCCCON1C(C)(C)CC(NC(=O)C(=O)Nc2ccccc2OCC)CC1(C)C
InChIInChI=1S/C27H45N3O4/c1-7-9-10-11-12-15-18-34-30-26(3,4)19-21(20-27(30,5)6)28-24(31)25(32)29-22-16-13-14-17-23(22)33-8-2/h13-14,16-17,21H,7-12,15,18-20H2,1-6H3,(H,28,31)(H,29,32)
InChIKeyAEHQLWPWTNMPSF-UHFFFAOYSA-N
XLogP5.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.67
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
CID 175160765
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
2-ethoxy-N-nonylaniline
CID 43129179
N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
CID 19766776
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
CID 7574754
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide (CID 19831358) is N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide is CCCCCCCCON1C(C)(C)CC(NC(=O)C(=O)Nc2ccccc2OCC)CC1(C)C.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide?
The InChIKey is AEHQLWPWTNMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N3O4/c1-7-9-10-11-12-15-18-34-30-26(3,4)19-21(20-27(30,5)6)28-24(31)25(32)29-22-16-13-14-17-23(22)33-8-2/h13-14,16-17,21H,7-12,15,18-20H2,1-6H3,(H,28,31)(H,29,32).
What are the key properties of N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide?
N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide has a molecular weight of 475.67 g/mol, XLogP of 5.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide is sourced from PubChem (CID 19831358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).