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

C21H23N3O4 — CID 1425627

IUPAC(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESNc1cccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C21H23N3O4/c22-16-5-3-4-15(12-16)19(25)13-21(27)17-6-1-2-7-18(17)24(20(21)26)14-23-8-10-28-11-9-23/h1-7,12,27H,8-11,13-14,22H2/t21-/m0/s1
InChIKeyNXCMAHNPQFTSKQ-NRFANRHFSA-N
MW381.43 g/mol
LogP1.37
Rot. Bonds5

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

(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 1425627) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID1425627
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESNc1cccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C21H23N3O4/c22-16-5-3-4-15(12-16)19(25)13-21(27)17-6-1-2-7-18(17)24(20(21)26)14-23-8-10-28-11-9-23/h1-7,12,27H,8-11,13-14,22H2/t21-/m0/s1
InChIKeyNXCMAHNPQFTSKQ-NRFANRHFSA-N
XLogP1.37
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425616
(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-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3805745
(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 7046085
3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 3400220
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425650
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425662
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one
CID 17138914
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 7106104
(3R)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 7357496
3-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 17131195
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ylmethyl)indol-2-one
CID 17078154

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (CID 1425627) is (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is Nc1cccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c1.
What is the InChIKey of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is NXCMAHNPQFTSKQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O4/c22-16-5-3-4-15(12-16)19(25)13-21(27)17-6-1-2-7-18(17)24(20(21)26)14-23-8-10-28-11-9-23/h1-7,12,27H,8-11,13-14,22H2/t21-/m0/s1.
What are the key properties of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 381.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 1425627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).