(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

C26H26N2O3 — CID 1162536

IUPAC(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESCN(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O3/c1-27(2)21-14-12-20(13-15-21)24(29)18-26(31)22-10-6-7-11-23(22)28(25(26)30)17-16-19-8-4-3-5-9-19/h3-15,31H,16-18H2,1-2H3/t26-/m0/s1
InChIKeyVQKGTTAEGJAZKK-SANMLTNESA-N
MW414.51 g/mol
LogP3.80
Rot. Bonds7

About (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (PubChem CID 1162536) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
PubChem CID1162536
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESCN(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O3/c1-27(2)21-14-12-20(13-15-21)24(29)18-26(31)22-10-6-7-11-23(22)28(25(26)30)17-16-19-8-4-3-5-9-19/h3-15,31H,16-18H2,1-2H3/t26-/m0/s1
InChIKeyVQKGTTAEGJAZKK-SANMLTNESA-N
XLogP3.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2908247
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 163207336
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 726675
(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 40875161
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 3696835
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909744
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 41339060

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The IUPAC name of (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (CID 1162536) is (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is CN(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The InChIKey is VQKGTTAEGJAZKK-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O3/c1-27(2)21-14-12-20(13-15-21)24(29)18-26(31)22-10-6-7-11-23(22)28(25(26)30)17-16-19-8-4-3-5-9-19/h3-15,31H,16-18H2,1-2H3/t26-/m0/s1.
What are the key properties of (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one has a molecular weight of 414.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 1162536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).