oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone

C19H27NO3 — CID 25292301

IUPACoxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESO=C(C1CCOCC1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C19H27NO3/c21-19(17-9-12-22-13-10-17)20-11-14-23-18(15-20)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2/t18-/m0/s1
InChIKeyHKJBPSOVIMRRCY-SFHVURJKSA-N
MW317.43 g/mol
LogP2.66
Rot. Bonds5

About oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone

oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone (PubChem CID 25292301) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
PubChem CID25292301
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nameoxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESO=C(C1CCOCC1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C19H27NO3/c21-19(17-9-12-22-13-10-17)20-11-14-23-18(15-20)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2/t18-/m0/s1
InChIKeyHKJBPSOVIMRRCY-SFHVURJKSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
CID 45219447
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 74778652
1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
CID 42515268
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone?
The IUPAC name of oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone (CID 25292301) is oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone is O=C(C1CCOCC1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone?
The InChIKey is HKJBPSOVIMRRCY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27NO3/c21-19(17-9-12-22-13-10-17)20-11-14-23-18(15-20)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2/t18-/m0/s1.
What are the key properties of oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone?
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 25292301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).