3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide

C15H27NO3 — CID 91485178

IUPAC3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide
SMILESCC[C@@H]1OCC(O)[C@@H]1NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-13-15(12(17)10-19-13)16-14(18)9-8-11-6-4-3-5-7-11/h11-13,15,17H,2-10H2,1H3,(H,16,18)/t12?,13-,15-/m0/s1
InChIKeyGCRJCPYNBMUGEV-MHEXWIEDSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds5

About 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide

3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide (PubChem CID 91485178) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide
PubChem CID91485178
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide
SMILESCC[C@@H]1OCC(O)[C@@H]1NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-13-15(12(17)10-19-13)16-14(18)9-8-11-6-4-3-5-7-11/h11-13,15,17H,2-10H2,1H3,(H,16,18)/t12?,13-,15-/m0/s1
InChIKeyGCRJCPYNBMUGEV-MHEXWIEDSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide (CID 91485178) is 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide is CC[C@@H]1OCC(O)[C@@H]1NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide?
The InChIKey is GCRJCPYNBMUGEV-MHEXWIEDSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-13-15(12(17)10-19-13)16-14(18)9-8-11-6-4-3-5-7-11/h11-13,15,17H,2-10H2,1H3,(H,16,18)/t12?,13-,15-/m0/s1.
What are the key properties of 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide?
3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide has a molecular weight of 269.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide is sourced from PubChem (CID 91485178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).