(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one

C19H21NO4 — CID 7281024

IUPAC(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C19H21NO4/c1-11(2)20-15-8-6-5-7-14(15)19(23,18(20)22)9-16(21)17-12(3)10-24-13(17)4/h5-8,10-11,23H,9H2,1-4H3/t19-/m1/s1
InChIKeyYSXWGPZDJOVFMX-LJQANCHMSA-N
MW327.38 g/mol
LogP3.11
Rot. Bonds4

About (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one

(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one (PubChem CID 7281024) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
PubChem CID7281024
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C19H21NO4/c1-11(2)20-15-8-6-5-7-14(15)19(23,18(20)22)9-16(21)17-12(3)10-24-13(17)4/h5-8,10-11,23H,9H2,1-4H3/t19-/m1/s1
InChIKeyYSXWGPZDJOVFMX-LJQANCHMSA-N
XLogP3.11
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 7280994
(3R)-1-benzyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1295142
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 957833
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 5182435
(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 7281029
(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one
CID 1075400
(3S)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 1265256
1-benzyl-5-bromo-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4586156
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3R)-5-chloro-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 1259352
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 40873758
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 41339036

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
The IUPAC name of (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one (CID 7281024) is (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one.
What is the SMILES notation for (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
The canonical SMILES for (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one is Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
The InChIKey is YSXWGPZDJOVFMX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11(2)20-15-8-6-5-7-14(15)19(23,18(20)22)9-16(21)17-12(3)10-24-13(17)4/h5-8,10-11,23H,9H2,1-4H3/t19-/m1/s1.
What are the key properties of (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one is sourced from PubChem (CID 7281024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).