3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

C25H30N2O3 — CID 46133735

IUPAC3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1cccc2c(C(CC(=O)N3CCCC3)c3ccc(OC)c(OC)c3)c[nH]c12
InChIInChI=1S/C25H30N2O3/c1-4-17-8-7-9-19-21(16-26-25(17)19)20(15-24(28)27-12-5-6-13-27)18-10-11-22(29-2)23(14-18)30-3/h7-11,14,16,20,26H,4-6,12-13,15H2,1-3H3
InChIKeyLBSDJFBGCPRTBD-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.89
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 46133735) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID46133735
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1cccc2c(C(CC(=O)N3CCCC3)c3ccc(OC)c(OC)c3)c[nH]c12
InChIInChI=1S/C25H30N2O3/c1-4-17-8-7-9-19-21(16-26-25(17)19)20(15-24(28)27-12-5-6-13-27)18-10-11-22(29-2)23(14-18)30-3/h7-11,14,16,20,26H,4-6,12-13,15H2,1-3H3
InChIKeyLBSDJFBGCPRTBD-UHFFFAOYSA-N
XLogP4.89
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285417
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one
CID 4110048
(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-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666875
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 46131414
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate
CID 46131396
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666860
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
(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
(3S)-3-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123771

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 46133735) is 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one is CCc1cccc2c(C(CC(=O)N3CCCC3)c3ccc(OC)c(OC)c3)c[nH]c12.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LBSDJFBGCPRTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-17-8-7-9-19-21(16-26-25(17)19)20(15-24(28)27-12-5-6-13-27)18-10-11-22(29-2)23(14-18)30-3/h7-11,14,16,20,26H,4-6,12-13,15H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 406.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 46133735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).