(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one

C24H28N2O4 — CID 7046085

IUPAC(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
SMILESCC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O4/c1-17(2)18-7-9-19(10-8-18)22(27)15-24(29)20-5-3-4-6-21(20)26(23(24)28)16-25-11-13-30-14-12-25/h3-10,17,29H,11-16H2,1-2H3/t24-/m1/s1
InChIKeyNHMJZEMLHXRQTM-XMMPIXPASA-N
MW408.50 g/mol
LogP2.91
Rot. Bonds6

About (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one

(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one (PubChem CID 7046085) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
PubChem CID7046085
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
SMILESCC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O4/c1-17(2)18-7-9-19(10-8-18)22(27)15-24(29)20-5-3-4-6-21(20)26(23(24)28)16-25-11-13-30-14-12-25/h3-10,17,29H,11-16H2,1-2H3/t24-/m1/s1
InChIKeyNHMJZEMLHXRQTM-XMMPIXPASA-N
XLogP2.91
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one with MolForge

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Related Compounds

(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1419494
3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 3400220
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425627
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425616
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425662
3-hydroxy-1-(morpholin-4-ylmethyl)-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3805745
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425987
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 1425972
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-[(4-methylpiperazin-1-yl)methyl]indol-2-one
CID 28924579
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 1216198
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425650
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 41339042

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one (CID 7046085) is (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one is CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one?
The InChIKey is NHMJZEMLHXRQTM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17(2)18-7-9-19(10-8-18)22(27)15-24(29)20-5-3-4-6-21(20)26(23(24)28)16-25-11-13-30-14-12-25/h3-10,17,29H,11-16H2,1-2H3/t24-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one?
(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one has a molecular weight of 408.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one is sourced from PubChem (CID 7046085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).