N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane

C18H35NO2 — CID 142437297

IUPACN-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane
SMILESCC.CCC[C@@H]1C[C@H](NC(C)=O)CC(C2CCCCC2)O1
InChIInChI=1S/C16H29NO2.C2H6/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13;1-2/h13-16H,3-11H2,1-2H3,(H,17,18);1-2H3/t14-,15+,16?;/m0./s1
InChIKeyOPJJCQVZALWABR-NKZKTGFWSA-N
MW297.48 g/mol
LogP4.45
Rot. Bonds4

About N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane

N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane (PubChem CID 142437297) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane
PubChem CID142437297
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane
SMILESCC.CCC[C@@H]1C[C@H](NC(C)=O)CC(C2CCCCC2)O1
InChIInChI=1S/C16H29NO2.C2H6/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13;1-2/h13-16H,3-11H2,1-2H3,(H,17,18);1-2H3/t14-,15+,16?;/m0./s1
InChIKeyOPJJCQVZALWABR-NKZKTGFWSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane?
The IUPAC name of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane (CID 142437297) is N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane.
What is the SMILES notation for N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane?
The canonical SMILES for N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane is CC.CCC[C@@H]1C[C@H](NC(C)=O)CC(C2CCCCC2)O1.
What is the InChIKey of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane?
The InChIKey is OPJJCQVZALWABR-NKZKTGFWSA-N. The full InChI is InChI=1S/C16H29NO2.C2H6/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13;1-2/h13-16H,3-11H2,1-2H3,(H,17,18);1-2H3/t14-,15+,16?;/m0./s1.
What are the key properties of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane?
N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane has a molecular weight of 297.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane is sourced from PubChem (CID 142437297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).