1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one

C26H32N2O3 — CID 46131414

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
SMILESCCc1cccc2c(C(CC(=O)N3CC(C)OC(C)C3)c3cccc(OC)c3)c[nH]c12
InChIInChI=1S/C26H32N2O3/c1-5-19-8-7-11-22-24(14-27-26(19)22)23(20-9-6-10-21(12-20)30-4)13-25(29)28-15-17(2)31-18(3)16-28/h6-12,14,17-18,23,27H,5,13,15-16H2,1-4H3
InChIKeyBYHBXSXTMDTHLZ-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.90
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one (PubChem CID 46131414) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
PubChem CID46131414
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
SMILESCCc1cccc2c(C(CC(=O)N3CC(C)OC(C)C3)c3cccc(OC)c3)c[nH]c12
InChIInChI=1S/C26H32N2O3/c1-5-19-8-7-11-22-24(14-27-26(19)22)23(20-9-6-10-21(12-20)30-4)13-25(29)28-15-17(2)31-18(3)16-28/h6-12,14,17-18,23,27H,5,13,15-16H2,1-4H3
InChIKeyBYHBXSXTMDTHLZ-UHFFFAOYSA-N
XLogP4.90
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one
CID 42802324
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 93122378
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one
CID 4110048
3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 46133735
(3R)-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 93122356
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666875
1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one (CID 46131414) is 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one is CCc1cccc2c(C(CC(=O)N3CC(C)OC(C)C3)c3cccc(OC)c3)c[nH]c12.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is BYHBXSXTMDTHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-5-19-8-7-11-22-24(14-27-26(19)22)23(20-9-6-10-21(12-20)30-4)13-25(29)28-15-17(2)31-18(3)16-28/h6-12,14,17-18,23,27H,5,13,15-16H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 420.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 46131414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).