N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide

C15H27NO2 — CID 134859262

IUPACN-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide
SMILESCC[C@@H]1CCCC[C@H]1NC(=O)CC1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-13-5-3-4-6-14(13)16-15(17)11-12-7-9-18-10-8-12/h12-14H,2-11H2,1H3,(H,16,17)/t13-,14-/m1/s1
InChIKeyNRDVISVSUHGMKO-ZIAGYGMSSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds4

About N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide

N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 134859262) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide
PubChem CID134859262
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide
SMILESCC[C@@H]1CCCC[C@H]1NC(=O)CC1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-13-5-3-4-6-14(13)16-15(17)11-12-7-9-18-10-8-12/h12-14H,2-11H2,1H3,(H,16,17)/t13-,14-/m1/s1
InChIKeyNRDVISVSUHGMKO-ZIAGYGMSSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide (CID 134859262) is N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide is CC[C@@H]1CCCC[C@H]1NC(=O)CC1CCOCC1.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide?
The InChIKey is NRDVISVSUHGMKO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-13-5-3-4-6-14(13)16-15(17)11-12-7-9-18-10-8-12/h12-14H,2-11H2,1H3,(H,16,17)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide?
N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 134859262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).