3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one

C19H23NO4 — CID 26334183

IUPAC3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(C[C@H]2CN(C(=O)CCc3ccco3)CCO2)cc1
InChIInChI=1S/C19H23NO4/c1-22-16-6-4-15(5-7-16)13-18-14-20(10-12-24-18)19(21)9-8-17-3-2-11-23-17/h2-7,11,18H,8-10,12-14H2,1H3/t18-/m0/s1
InChIKeyVONITUFWWUJTOJ-SFHVURJKSA-N
MW329.40 g/mol
LogP2.69
Rot. Bonds6

About 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one

3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one (PubChem CID 26334183) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
PubChem CID26334183
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(C[C@H]2CN(C(=O)CCc3ccco3)CCO2)cc1
InChIInChI=1S/C19H23NO4/c1-22-16-6-4-15(5-7-16)13-18-14-20(10-12-24-18)19(21)9-8-17-3-2-11-23-17/h2-7,11,18H,8-10,12-14H2,1H3/t18-/m0/s1
InChIKeyVONITUFWWUJTOJ-SFHVURJKSA-N
XLogP2.69
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 95455767
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
CID 122569997
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
4-[3-(furan-2-yl)propanoyl]morpholine-2-carbothioamide
CID 79674928
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124977955
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 124994504
4-(4-methoxyphenyl)-1-(2-sulfanylmorpholin-4-yl)butan-1-one
CID 176715120
3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 128981499

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one (CID 26334183) is 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one is COc1ccc(C[C@H]2CN(C(=O)CCc3ccco3)CCO2)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
The InChIKey is VONITUFWWUJTOJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-6-4-15(5-7-16)13-18-14-20(10-12-24-18)19(21)9-8-17-3-2-11-23-17/h2-7,11,18H,8-10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 26334183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).