(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide

C14H27NO2 — CID 124743400

IUPAC(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide
SMILESCCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OCC
InChIInChI=1S/C14H27NO2/c1-4-8-12-9-6-7-10-13(12)15-14(16)11(3)17-5-2/h11-13H,4-10H2,1-3H3,(H,15,16)/t11-,12+,13-/m0/s1
InChIKeyYTWLYZARXLUWAX-XQQFMLRXSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds6

About (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide

(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide (PubChem CID 124743400) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide
PubChem CID124743400
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide
SMILESCCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OCC
InChIInChI=1S/C14H27NO2/c1-4-8-12-9-6-7-10-13(12)15-14(16)11(3)17-5-2/h11-13H,4-10H2,1-3H3,(H,15,16)/t11-,12+,13-/m0/s1
InChIKeyYTWLYZARXLUWAX-XQQFMLRXSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide (CID 124743400) is (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide is CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OCC.
What is the InChIKey of (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide?
The InChIKey is YTWLYZARXLUWAX-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-8-12-9-6-7-10-13(12)15-14(16)11(3)17-5-2/h11-13H,4-10H2,1-3H3,(H,15,16)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide?
(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide has a molecular weight of 241.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide is sourced from PubChem (CID 124743400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).