N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide

C15H27NO2 — CID 70905279

IUPACN-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide
SMILESCC1(C)C[C@@H](CC(=O)NC2CCCCC2)CCO1
InChIInChI=1S/C15H27NO2/c1-15(2)11-12(8-9-18-15)10-14(17)16-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyQOCQDKPOCJYMCN-GFCCVEGCSA-N
MW253.39 g/mol
LogP3.03
Rot. Bonds3

About N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide

N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide (PubChem CID 70905279) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide
PubChem CID70905279
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide
SMILESCC1(C)C[C@@H](CC(=O)NC2CCCCC2)CCO1
InChIInChI=1S/C15H27NO2/c1-15(2)11-12(8-9-18-15)10-14(17)16-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyQOCQDKPOCJYMCN-GFCCVEGCSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide (CID 70905279) is N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide is CC1(C)C[C@@H](CC(=O)NC2CCCCC2)CCO1.
What is the InChIKey of N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide?
The InChIKey is QOCQDKPOCJYMCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)11-12(8-9-18-15)10-14(17)16-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide?
N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4S)-2,2-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 70905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).