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

C16H29NO2 — CID 50980440

IUPACN-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
SMILESCCC[C@@H]1C[C@H](NC(C)=O)C[C@H](C2CCCCC2)O1
InChIInChI=1S/C16H29NO2/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13/h13-16H,3-11H2,1-2H3,(H,17,18)/t14-,15+,16+/m0/s1
InChIKeyJZMCQTWFVOHEET-ARFHVFGLSA-N
MW267.41 g/mol
LogP3.42
Rot. Bonds4

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

N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide (PubChem CID 50980440) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
PubChem CID50980440
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
SMILESCCC[C@@H]1C[C@H](NC(C)=O)C[C@H](C2CCCCC2)O1
InChIInChI=1S/C16H29NO2/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13/h13-16H,3-11H2,1-2H3,(H,17,18)/t14-,15+,16+/m0/s1
InChIKeyJZMCQTWFVOHEET-ARFHVFGLSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide (CID 50980440) is N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide is CCC[C@@H]1C[C@H](NC(C)=O)C[C@H](C2CCCCC2)O1.
What is the InChIKey of N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
The InChIKey is JZMCQTWFVOHEET-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13/h13-16H,3-11H2,1-2H3,(H,17,18)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide has a molecular weight of 267.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide is sourced from PubChem (CID 50980440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).