N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide

C15H21NO2 — CID 53381492

IUPACN-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@]1(C)CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12(17)16-15(2)8-9-18-14(11-15)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,16,17)/t14-,15+/m0/s1
InChIKeyZTQWUWBHCFIPFD-LSDHHAIUSA-N
MW247.34 g/mol
LogP2.30
Rot. Bonds3

About N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide

N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide (PubChem CID 53381492) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide
PubChem CID53381492
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@]1(C)CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12(17)16-15(2)8-9-18-14(11-15)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,16,17)/t14-,15+/m0/s1
InChIKeyZTQWUWBHCFIPFD-LSDHHAIUSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide (CID 53381492) is N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide is CC(=O)N[C@]1(C)CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide?
The InChIKey is ZTQWUWBHCFIPFD-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)16-15(2)8-9-18-14(11-15)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,16,17)/t14-,15+/m0/s1.
What are the key properties of N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide?
N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide is sourced from PubChem (CID 53381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).