1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione

C19H21NO4 — CID 42515268

IUPAC1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCO[C@@H](CCCc2ccccc2)C1)c1ccco1
InChIInChI=1S/C19H21NO4/c21-18(17-10-5-12-24-17)19(22)20-11-13-23-16(14-20)9-4-8-15-6-2-1-3-7-15/h1-3,5-7,10,12,16H,4,8-9,11,13-14H2/t16-/m0/s1
InChIKeyGEAJUOGGCBNEQW-INIZCTEOSA-N
MW327.38 g/mol
LogP2.71
Rot. Bonds6

About 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione

1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione (PubChem CID 42515268) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
PubChem CID42515268
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCO[C@@H](CCCc2ccccc2)C1)c1ccco1
InChIInChI=1S/C19H21NO4/c21-18(17-10-5-12-24-17)19(22)20-11-13-23-16(14-20)9-4-8-15-6-2-1-3-7-15/h1-3,5-7,10,12,16H,4,8-9,11,13-14H2/t16-/m0/s1
InChIKeyGEAJUOGGCBNEQW-INIZCTEOSA-N
XLogP2.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 42376886
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 42392703
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 74778652
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
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
3-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552345
3-[(2R)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552344
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione?
The IUPAC name of 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione (CID 42515268) is 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione?
The canonical SMILES for 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione is O=C(C(=O)N1CCO[C@@H](CCCc2ccccc2)C1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione?
The InChIKey is GEAJUOGGCBNEQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(17-10-5-12-24-17)19(22)20-11-13-23-16(14-20)9-4-8-15-6-2-1-3-7-15/h1-3,5-7,10,12,16H,4,8-9,11,13-14H2/t16-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione?
1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione has a molecular weight of 327.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione is sourced from PubChem (CID 42515268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).