N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide

C28H48N2O2 — CID 20781312

IUPACN-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide
SMILESCCCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(C)(CC)C1
InChIInChI=1S/C28H48N2O2/c1-7-9-10-11-12-13-17-20-26(31)29-25-21-27(4,5)30(28(6,8-2)22-25)32-23(3)24-18-15-14-16-19-24/h14-16,18-19,23,25H,7-13,17,20-22H2,1-6H3,(H,29,31)
InChIKeyOMOQQVJFRLYALD-UHFFFAOYSA-N
MW444.70 g/mol
LogP7.35
Rot. Bonds13

About N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide

N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide (PubChem CID 20781312) has the molecular formula C28H48N2O2 and a molecular weight of 444.70 g/mol. Its IUPAC name is N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide.

Molecular Properties

Compound NameN-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide
PubChem CID20781312
Molecular FormulaC28H48N2O2
Molecular Weight444.70 g/mol
Exact Mass444.37
IUPAC NameN-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide
SMILESCCCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(C)(CC)C1
InChIInChI=1S/C28H48N2O2/c1-7-9-10-11-12-13-17-20-26(31)29-25-21-27(4,5)30(28(6,8-2)22-25)32-23(3)24-18-15-14-16-19-24/h14-16,18-19,23,25H,7-13,17,20-22H2,1-6H3,(H,29,31)
InChIKeyOMOQQVJFRLYALD-UHFFFAOYSA-N
XLogP7.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide?
The IUPAC name of N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide (CID 20781312) is N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide.
What is the SMILES notation for N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide?
The canonical SMILES for N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide is CCCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(C)(CC)C1.
What is the InChIKey of N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide?
The InChIKey is OMOQQVJFRLYALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O2/c1-7-9-10-11-12-13-17-20-26(31)29-25-21-27(4,5)30(28(6,8-2)22-25)32-23(3)24-18-15-14-16-19-24/h14-16,18-19,23,25H,7-13,17,20-22H2,1-6H3,(H,29,31).
What are the key properties of N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide?
N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide has a molecular weight of 444.70 g/mol, XLogP of 7.35, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]decanamide is sourced from PubChem (CID 20781312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).