N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide

C21H25NO2 — CID 50960068

IUPACN-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](Cc2ccccc2)O[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-16(23)22-19-14-20(12-17-8-4-2-5-9-17)24-21(15-19)13-18-10-6-3-7-11-18/h2-11,19-21H,12-15H2,1H3,(H,22,23)/t19?,20-,21+
InChIKeyVQQFLJBIOKNUDF-SEJPIABJSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds5

About N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide

N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide (PubChem CID 50960068) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
PubChem CID50960068
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](Cc2ccccc2)O[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-16(23)22-19-14-20(12-17-8-4-2-5-9-17)24-21(15-19)13-18-10-6-3-7-11-18/h2-11,19-21H,12-15H2,1H3,(H,22,23)/t19?,20-,21+
InChIKeyVQQFLJBIOKNUDF-SEJPIABJSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,4R,6S)-2-benzyl-6-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)oxan-4-yl]acetamide
CID 50958700
N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
CID 50958032
N-[2-(2-phenylethyl)oxan-4-yl]acetamide
CID 102519747
N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide
CID 50961972
4-[(2S,4R,6S)-4-acetamido-6-(2-phenylethyl)oxan-2-yl]benzoic acid
CID 50977390
N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide
CID 53381492
N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)acetamide
CID 102049531
N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 19876157
2-benzyl-5-ethyloxolane
CID 134971012
N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide
CID 50949878
methyl 2-[(2S,4R,6R)-6-benzyl-4-methoxyoxan-2-yl]-2-methylpropanoate
CID 101436530
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide (CID 50960068) is N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide is CC(=O)NC1C[C@@H](Cc2ccccc2)O[C@@H](Cc2ccccc2)C1.
What is the InChIKey of N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide?
The InChIKey is VQQFLJBIOKNUDF-SEJPIABJSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16(23)22-19-14-20(12-17-8-4-2-5-9-17)24-21(15-19)13-18-10-6-3-7-11-18/h2-11,19-21H,12-15H2,1H3,(H,22,23)/t19?,20-,21+.
What are the key properties of N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide?
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide is sourced from PubChem (CID 50960068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).