N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide

C13H25NO2 — CID 129085993

IUPACN-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide
SMILESCCC1OC(C)C(NC(C)=O)[C@@H](C)C1(C)C
InChIInChI=1S/C13H25NO2/c1-7-11-13(5,6)8(2)12(9(3)16-11)14-10(4)15/h8-9,11-12H,7H2,1-6H3,(H,14,15)/t8-,9?,11?,12?/m1/s1
InChIKeyWMPLENCDSSMOJK-NVGMAVIKSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds2

About N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide

N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide (PubChem CID 129085993) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide
PubChem CID129085993
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide
SMILESCCC1OC(C)C(NC(C)=O)[C@@H](C)C1(C)C
InChIInChI=1S/C13H25NO2/c1-7-11-13(5,6)8(2)12(9(3)16-11)14-10(4)15/h8-9,11-12H,7H2,1-6H3,(H,14,15)/t8-,9?,11?,12?/m1/s1
InChIKeyWMPLENCDSSMOJK-NVGMAVIKSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide?
The IUPAC name of N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide (CID 129085993) is N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide is CCC1OC(C)C(NC(C)=O)[C@@H](C)C1(C)C.
What is the InChIKey of N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide?
The InChIKey is WMPLENCDSSMOJK-NVGMAVIKSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-11-13(5,6)8(2)12(9(3)16-11)14-10(4)15/h8-9,11-12H,7H2,1-6H3,(H,14,15)/t8-,9?,11?,12?/m1/s1.
What are the key properties of N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide?
N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide is sourced from PubChem (CID 129085993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).