(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one

C23H28N2O3 — CID 92858081

IUPAC(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one
SMILESC[C@]1(OCCCN2CCOCC2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H28N2O3/c1-23(28-15-7-12-24-13-16-27-17-14-24)20-10-5-6-11-21(20)25(22(23)26)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3/t23-/m1/s1
InChIKeyDJLQHIXQQBFDNR-HSZRJFAPSA-N
MW380.49 g/mol
LogP3.19
Rot. Bonds7

About (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one

(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one (PubChem CID 92858081) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one
PubChem CID92858081
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one
SMILESC[C@]1(OCCCN2CCOCC2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H28N2O3/c1-23(28-15-7-12-24-13-16-27-17-14-24)20-10-5-6-11-21(20)25(22(23)26)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3/t23-/m1/s1
InChIKeyDJLQHIXQQBFDNR-HSZRJFAPSA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
CID 177444989
1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
CID 86301465
3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 67233483
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
1-benzyl-3,3-dimethylindole-2-thione
CID 848846
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867345

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one?
The IUPAC name of (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one (CID 92858081) is (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one?
The canonical SMILES for (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one is C[C@]1(OCCCN2CCOCC2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one?
The InChIKey is DJLQHIXQQBFDNR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(28-15-7-12-24-13-16-27-17-14-24)20-10-5-6-11-21(20)25(22(23)26)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3/t23-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one?
(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one is sourced from PubChem (CID 92858081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).