3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide

C24H31N3O3 — CID 42774682

IUPAC3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)NCCN(C)C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C24H31N3O3/c1-26(2)11-10-25-24(28)15-21(17-12-18(29-4)14-19(13-17)30-5)22-16-27(3)23-9-7-6-8-20(22)23/h6-9,12-14,16,21H,10-11,15H2,1-5H3,(H,25,28)
InChIKeyPEEGTURWMSDIOP-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.40
Rot. Bonds9

About 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide

3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide (PubChem CID 42774682) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
PubChem CID42774682
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)NCCN(C)C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C24H31N3O3/c1-26(2)11-10-25-24(28)15-21(17-12-18(29-4)14-19(13-17)30-5)22-16-27(3)23-9-7-6-8-20(22)23/h6-9,12-14,16,21H,10-11,15H2,1-5H3,(H,25,28)
InChIKeyPEEGTURWMSDIOP-UHFFFAOYSA-N
XLogP3.40
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
(3S)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012615
(3S)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012616
(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 93119955
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide (CID 42774682) is 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide is COc1cc(OC)cc(C(CC(=O)NCCN(C)C)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide?
The InChIKey is PEEGTURWMSDIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26(2)11-10-25-24(28)15-21(17-12-18(29-4)14-19(13-17)30-5)22-16-27(3)23-9-7-6-8-20(22)23/h6-9,12-14,16,21H,10-11,15H2,1-5H3,(H,25,28).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide?
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide has a molecular weight of 409.53 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 42774682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).