(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one

C23H25NO3 — CID 72697986

IUPAC(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C23H25NO3/c25-21(18-11-5-2-6-12-18)15-23(27)19-13-7-8-14-20(19)24(22(23)26)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18,27H,2,5-6,11-12,15-16H2/t23-/m0/s1
InChIKeyHVVCGDYSZMVNGH-QHCPKHFHSA-N
MW363.46 g/mol
LogP3.96
Rot. Bonds5

About (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one

(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one (PubChem CID 72697986) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one
PubChem CID72697986
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C23H25NO3/c25-21(18-11-5-2-6-12-18)15-23(27)19-13-7-8-14-20(19)24(22(23)26)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18,27H,2,5-6,11-12,15-16H2/t23-/m0/s1
InChIKeyHVVCGDYSZMVNGH-QHCPKHFHSA-N
XLogP3.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3R)-3-[2-(1-adamantyl)-2-oxoethyl]-1-benzyl-3-hydroxyindol-2-one
CID 7281988
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
1-benzyl-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2956599
1-benzyl-3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 2957228
(3R)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 40823335
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
(3R)-3-[2-(1-adamantyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 7281992
(3R)-1-benzyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1295142
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 175205314

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one?
The IUPAC name of (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one (CID 72697986) is (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one?
The canonical SMILES for (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one is O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)C1CCCCC1.
What is the InChIKey of (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one?
The InChIKey is HVVCGDYSZMVNGH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25NO3/c25-21(18-11-5-2-6-12-18)15-23(27)19-13-7-8-14-20(19)24(22(23)26)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18,27H,2,5-6,11-12,15-16H2/t23-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one?
(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one is sourced from PubChem (CID 72697986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).