3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide

C23H29N3O3 — CID 42802192

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCN(C)C)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-26(2)12-11-24-23(27)14-18(16-9-10-21(28-3)22(13-16)29-4)19-15-25-20-8-6-5-7-17(19)20/h5-10,13,15,18,25H,11-12,14H2,1-4H3,(H,24,27)
InChIKeyXVFBCGALUBMWBQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.38
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 42802192) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID42802192
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCN(C)C)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-26(2)12-11-24-23(27)14-18(16-9-10-21(28-3)22(13-16)29-4)19-15-25-20-8-6-5-7-17(19)20/h5-10,13,15,18,25H,11-12,14H2,1-4H3,(H,24,27)
InChIKeyXVFBCGALUBMWBQ-UHFFFAOYSA-N
XLogP3.38
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83285420
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
CID 92876005
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119692889
3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 42953197
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
methyl 2-[[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]benzoate
CID 46354806
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide (CID 42802192) is 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide is COc1ccc(C(CC(=O)NCCN(C)C)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is XVFBCGALUBMWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-26(2)12-11-24-23(27)14-18(16-9-10-21(28-3)22(13-16)29-4)19-15-25-20-8-6-5-7-17(19)20/h5-10,13,15,18,25H,11-12,14H2,1-4H3,(H,24,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 42802192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).