3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one

C23H26N2O2 — CID 42774723

IUPAC3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCOCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C23H26N2O2/c1-17-6-5-7-18(14-17)20(15-23(26)25-10-12-27-13-11-25)21-16-24(2)22-9-4-3-8-19(21)22/h3-9,14,16,20H,10-13,15H2,1-2H3
InChIKeyOPBZMYHPPFHXEX-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.87
Rot. Bonds4

About 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 42774723) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID42774723
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCOCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C23H26N2O2/c1-17-6-5-7-18(14-17)20(15-23(26)25-10-12-27-13-11-25)21-16-24(2)22-9-4-3-8-19(21)22/h3-9,14,16,20H,10-13,15H2,1-2H3
InChIKeyOPBZMYHPPFHXEX-UHFFFAOYSA-N
XLogP3.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 42804519
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 42774836
(3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93122576
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(3S)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 93122600
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one (CID 42774723) is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one is Cc1cccc(C(CC(=O)N2CCOCC2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is OPBZMYHPPFHXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-6-5-7-18(14-17)20(15-23(26)25-10-12-27-13-11-25)21-16-24(2)22-9-4-3-8-19(21)22/h3-9,14,16,20H,10-13,15H2,1-2H3.
What are the key properties of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one?
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 362.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42774723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).