[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate

C22H27NO3 — CID 59981697

IUPAC[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OC1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C22H27NO3/c24-22(16-18-8-5-7-17-6-1-2-9-19(17)18)26-21-11-4-3-10-20(21)23-12-14-25-15-13-23/h1-2,5-9,20-21H,3-4,10-16H2/t20-,21?/m0/s1
InChIKeyKCMVEXJEGVDMOY-BGERDNNASA-N
MW353.46 g/mol
LogP3.57
Rot. Bonds4

About [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate

[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate (PubChem CID 59981697) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
PubChem CID59981697
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OC1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C22H27NO3/c24-22(16-18-8-5-7-17-6-1-2-9-19(17)18)26-21-11-4-3-10-20(21)23-12-14-25-15-13-23/h1-2,5-9,20-21H,3-4,10-16H2/t20-,21?/m0/s1
InChIKeyKCMVEXJEGVDMOY-BGERDNNASA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate (CID 59981697) is [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate is O=C(Cc1cccc2ccccc12)OC1CCCC[C@@H]1N1CCOCC1.
What is the InChIKey of [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate?
The InChIKey is KCMVEXJEGVDMOY-BGERDNNASA-N. The full InChI is InChI=1S/C22H27NO3/c24-22(16-18-8-5-7-17-6-1-2-9-19(17)18)26-21-11-4-3-10-20(21)23-12-14-25-15-13-23/h1-2,5-9,20-21H,3-4,10-16H2/t20-,21?/m0/s1.
What are the key properties of [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate?
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 59981697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).