2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide

C18H31NO3 — CID 127110273

IUPAC2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CC12CC3CC(CC(C3)C1)C2)OCC
InChIInChI=1S/C18H31NO3/c1-3-21-17(22-4-2)12-19-16(20)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyLXFFRCPUADVBEJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.11
Rot. Bonds8

About 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide

2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide (PubChem CID 127110273) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide
PubChem CID127110273
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CC12CC3CC(CC(C3)C1)C2)OCC
InChIInChI=1S/C18H31NO3/c1-3-21-17(22-4-2)12-19-16(20)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyLXFFRCPUADVBEJ-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide (CID 127110273) is 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide is CCOC(CNC(=O)CC12CC3CC(CC(C3)C1)C2)OCC.
What is the InChIKey of 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide?
The InChIKey is LXFFRCPUADVBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-3-21-17(22-4-2)12-19-16(20)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide?
2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide has a molecular weight of 309.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide is sourced from PubChem (CID 127110273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).