3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one

C20H23NO4 — CID 97320572

IUPAC3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)o1
InChIInChI=1S/C20H23NO4/c1-15-7-8-18(25-15)9-10-20(23)21-11-12-24-14-17(21)13-19(22)16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-/m0/s1
InChIKeyTYVKTUOBOTZEEQ-KRWDZBQOSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds6

About 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one

3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one (PubChem CID 97320572) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
PubChem CID97320572
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)o1
InChIInChI=1S/C20H23NO4/c1-15-7-8-18(25-15)9-10-20(23)21-11-12-24-14-17(21)13-19(22)16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-/m0/s1
InChIKeyTYVKTUOBOTZEEQ-KRWDZBQOSA-N
XLogP3.02
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
CID 75426197
2-[4-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56908769
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
CID 95380638
3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
CID 136544071
(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
CID 97320552
1-(3-phenacylmorpholin-4-yl)-2-pyrazol-1-ylpropan-1-one
CID 75426175
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 91644859
2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
CID 99855759

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one (CID 97320572) is 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one is Cc1ccc(CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one?
The InChIKey is TYVKTUOBOTZEEQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-7-8-18(25-15)9-10-20(23)21-11-12-24-14-17(21)13-19(22)16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-/m0/s1.
What are the key properties of 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one?
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 97320572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).