(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

C16H25NO4 — CID 45182494

IUPAC(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(CCCC(C)C)C2)o1
InChIInChI=1S/C16H25NO4/c1-12(2)5-4-6-13-11-17(9-10-20-13)16(18)14-7-8-15(19-3)21-14/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyPZDQPLHAUJJPKY-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.96
Rot. Bonds6

About (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 45182494) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID45182494
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(CCCC(C)C)C2)o1
InChIInChI=1S/C16H25NO4/c1-12(2)5-4-6-13-11-17(9-10-20-13)16(18)14-7-8-15(19-3)21-14/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyPZDQPLHAUJJPKY-UHFFFAOYSA-N
XLogP2.96
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
(5-methoxyfuran-2-yl)-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]methanone
CID 45245517
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 133133676
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72850063
[2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56878736
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95558114
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845

Frequently Asked Questions

What is the IUPAC name of (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 45182494) is (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC(CCCC(C)C)C2)o1.
What is the InChIKey of (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is PZDQPLHAUJJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)5-4-6-13-11-17(9-10-20-13)16(18)14-7-8-15(19-3)21-14/h7-8,12-13H,4-6,9-11H2,1-3H3.
What are the key properties of (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 295.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 45182494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).