[(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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Related Compounds

4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
CID 67152377
[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-naphthalen-1-ylacetate
CID 905125
[(3S,4S)-4-(2-naphthalen-1-ylacetyl)oxypyrrolidin-3-yl] 2-naphthalen-1-ylacetate
CID 54754546
3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759116
1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
CID 82037392
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
CID 21045496
4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
CID 58648747
[(1R,2S)-2-(naphthalen-1-ylmethyl)cyclohexyl] 2-oxo-2-phenylacetate
CID 100989331
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 21045498
3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 118754967
2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride
CID 22873287
1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride
CID 161229794

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).