3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

C23H26N2O4 — CID 3240749

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C23H26N2O4/c1-2-17-7-9-18(10-8-17)21(26)15-23(28)19-5-3-4-6-20(19)25(22(23)27)16-24-11-13-29-14-12-24/h3-10,28H,2,11-16H2,1H3
InChIKeyRPKJAMKSHLOJDK-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.35
Rot. Bonds6

About 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 3240749) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID3240749
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C23H26N2O4/c1-2-17-7-9-18(10-8-17)21(26)15-23(28)19-5-3-4-6-20(19)25(22(23)27)16-24-11-13-29-14-12-24/h3-10,28H,2,11-16H2,1H3
InChIKeyRPKJAMKSHLOJDK-UHFFFAOYSA-N
XLogP2.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (CID 3240749) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is CCc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is RPKJAMKSHLOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-17-7-9-18(10-8-17)21(26)15-23(28)19-5-3-4-6-20(19)25(22(23)27)16-24-11-13-29-14-12-24/h3-10,28H,2,11-16H2,1H3.
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 394.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 3240749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).