2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide

C18H31NO2 — CID 171725812

IUPAC2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
SMILESCC(C)COCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-13(2)12-21-4-3-19-17(20)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,3-12H2,1-2H3,(H,19,20)
InChIKeyKOQAPQNRJXDYLC-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.38
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide

2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide (PubChem CID 171725812) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
PubChem CID171725812
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
SMILESCC(C)COCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-13(2)12-21-4-3-19-17(20)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,3-12H2,1-2H3,(H,19,20)
InChIKeyKOQAPQNRJXDYLC-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide 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 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide (CID 171725812) is 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide is CC(C)COCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The InChIKey is KOQAPQNRJXDYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(2)12-21-4-3-19-17(20)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide has a molecular weight of 293.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide is sourced from PubChem (CID 171725812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).