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

C23H28N2O3 — CID 112529669

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc(CC(C)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H28N2O3/c1-15(13-17-9-10-21(27-3)22(14-17)28-4)23(26)24-12-11-18-16(2)25-20-8-6-5-7-19(18)20/h5-10,14-15,25H,11-13H2,1-4H3,(H,24,26)
InChIKeyVCXAPTWDXMHITO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.03
Rot. Bonds8

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

3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (PubChem CID 112529669) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
PubChem CID112529669
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc(CC(C)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H28N2O3/c1-15(13-17-9-10-21(27-3)22(14-17)28-4)23(26)24-12-11-18-16(2)25-20-8-6-5-7-19(18)20/h5-10,14-15,25H,11-13H2,1-4H3,(H,24,26)
InChIKeyVCXAPTWDXMHITO-UHFFFAOYSA-N
XLogP4.03
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 112522253
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211726
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (CID 112529669) is 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is COc1ccc(CC(C)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is VCXAPTWDXMHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(13-17-9-10-21(27-3)22(14-17)28-4)23(26)24-12-11-18-16(2)25-20-8-6-5-7-19(18)20/h5-10,14-15,25H,11-13H2,1-4H3,(H,24,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 112529669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).