2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide

C17H25NO2 — CID 101220003

IUPAC2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1CCCC(C)(C)O1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(14-8-5-4-6-9-14)18-16(19)12-15-10-7-11-17(2,3)20-15/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyGBJLTQUFMPGBKX-DZGCQCFKSA-N
MW275.39 g/mol
LogP3.60
Rot. Bonds4

About 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 101220003) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID101220003
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1CCCC(C)(C)O1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(14-8-5-4-6-9-14)18-16(19)12-15-10-7-11-17(2,3)20-15/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyGBJLTQUFMPGBKX-DZGCQCFKSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 101220003) is 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)C[C@H]1CCCC(C)(C)O1)c1ccccc1.
What is the InChIKey of 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is GBJLTQUFMPGBKX-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(14-8-5-4-6-9-14)18-16(19)12-15-10-7-11-17(2,3)20-15/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 275.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 101220003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).