2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

C20H27NO3 — CID 124786369

IUPAC2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESO=C(COCCOc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C20H27NO3/c22-20(13-23-9-10-24-15-5-2-1-3-6-15)21-19-12-14-11-18(19)17-8-4-7-16(14)17/h1-3,5-6,14,16-19H,4,7-13H2,(H,21,22)/t14-,16+,17-,18+,19-/m1/s1
InChIKeyVHZCYMZOLXHQPC-LZBKUMLDSA-N
MW329.44 g/mol
LogP3.02
Rot. Bonds7

About 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (PubChem CID 124786369) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
PubChem CID124786369
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESO=C(COCCOc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C20H27NO3/c22-20(13-23-9-10-24-15-5-2-1-3-6-15)21-19-12-14-11-18(19)17-8-4-7-16(14)17/h1-3,5-6,14,16-19H,4,7-13H2,(H,21,22)/t14-,16+,17-,18+,19-/m1/s1
InChIKeyVHZCYMZOLXHQPC-LZBKUMLDSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (CID 124786369) is 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is O=C(COCCOc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The InChIKey is VHZCYMZOLXHQPC-LZBKUMLDSA-N. The full InChI is InChI=1S/C20H27NO3/c22-20(13-23-9-10-24-15-5-2-1-3-6-15)21-19-12-14-11-18(19)17-8-4-7-16(14)17/h1-3,5-6,14,16-19H,4,7-13H2,(H,21,22)/t14-,16+,17-,18+,19-/m1/s1.
What are the key properties of 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is sourced from PubChem (CID 124786369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).