2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide

C17H29NO2 — CID 46997421

IUPAC2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-2-20-5-3-4-18-16(19)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyFBDZVCIMAGGXIZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.14
Rot. Bonds7

About 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide

2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide (PubChem CID 46997421) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide
PubChem CID46997421
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-2-20-5-3-4-18-16(19)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyFBDZVCIMAGGXIZ-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide (CID 46997421) is 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is FBDZVCIMAGGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-20-5-3-4-18-16(19)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3,(H,18,19).
What are the key properties of 2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide?
2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 279.42 g/mol, XLogP of 3.14, 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-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 46997421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).