(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone

C18H21NO3 — CID 75504750

IUPAC(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCc1occc1C(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C18H21NO3/c1-14-17(9-11-21-14)18(20)19-10-12-22-16(13-19)8-7-15-5-3-2-4-6-15/h2-6,9,11,16H,7-8,10,12-13H2,1H3
InChIKeyZALLJXFESLEDHK-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.06
Rot. Bonds4

About (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone

(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone (PubChem CID 75504750) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
PubChem CID75504750
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCc1occc1C(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C18H21NO3/c1-14-17(9-11-21-14)18(20)19-10-12-22-16(13-19)8-7-15-5-3-2-4-6-15/h2-6,9,11,16H,7-8,10,12-13H2,1H3
InChIKeyZALLJXFESLEDHK-UHFFFAOYSA-N
XLogP3.06
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082
[(4aR,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
CID 97002306
[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25274863
[3-(dimethylamino)phenyl]-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 45193768
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone (CID 75504750) is (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone is Cc1occc1C(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone?
The InChIKey is ZALLJXFESLEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-17(9-11-21-14)18(20)19-10-12-22-16(13-19)8-7-15-5-3-2-4-6-15/h2-6,9,11,16H,7-8,10,12-13H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone?
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 75504750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).