1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one

C20H25NO4 — CID 110025457

IUPAC1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
SMILESCCc1ccc(C2COCCN2C(=O)CC(C)(O)c2ccccc2)o1
InChIInChI=1S/C20H25NO4/c1-3-16-9-10-18(25-16)17-14-24-12-11-21(17)19(22)13-20(2,23)15-7-5-4-6-8-15/h4-10,17,23H,3,11-14H2,1-2H3
InChIKeyBSBFFRLMYGXLDN-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.04
Rot. Bonds5

About 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one

1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one (PubChem CID 110025457) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
PubChem CID110025457
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
SMILESCCc1ccc(C2COCCN2C(=O)CC(C)(O)c2ccccc2)o1
InChIInChI=1S/C20H25NO4/c1-3-16-9-10-18(25-16)17-14-24-12-11-21(17)19(22)13-20(2,23)15-7-5-4-6-8-15/h4-10,17,23H,3,11-14H2,1-2H3
InChIKeyBSBFFRLMYGXLDN-UHFFFAOYSA-N
XLogP3.04
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
5-[4-(2-Furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
CID 2812276
2-(2-Furylmethyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 2826345
5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylic acid
CID 672004
3-Acetyl-2-(2-furyl)-4-hydroxy-5-oxo-1-benzyl-3-pyrroline
CID 653772
1-Cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one
CID 10429124
4-Acetyl-1-furan-2-ylmethyl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
CID 646898
(E)-4-(3-(furan-2-yl)acryloyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 6222286
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-phenethyloxalamide
CID 16194875
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
1-(Furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 54703776
1-[(Furan-2-YL)methyl]-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-YL)(phenyl)methyl]-1,2-dihydropyridin-2-one
CID 54703778

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one?
The IUPAC name of 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one (CID 110025457) is 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one.
What is the SMILES notation for 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one?
The canonical SMILES for 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one is CCc1ccc(C2COCCN2C(=O)CC(C)(O)c2ccccc2)o1.
What is the InChIKey of 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one?
The InChIKey is BSBFFRLMYGXLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-16-9-10-18(25-16)17-14-24-12-11-21(17)19(22)13-20(2,23)15-7-5-4-6-8-15/h4-10,17,23H,3,11-14H2,1-2H3.
What are the key properties of 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one?
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one has a molecular weight of 343.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one is sourced from PubChem (CID 110025457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).