2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide

C22H26N2O3 — CID 41109158

IUPAC2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1cn(Cc2cc(OC)cc(OC)c2)c2ccccc12
InChIInChI=1S/C22H26N2O3/c1-4-9-23-22(25)12-17-15-24(21-8-6-5-7-20(17)21)14-16-10-18(26-2)13-19(11-16)27-3/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,23,25)
InChIKeySQTFNUDSDIDYSL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.78
Rot. Bonds8

About 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide

2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide (PubChem CID 41109158) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
PubChem CID41109158
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1cn(Cc2cc(OC)cc(OC)c2)c2ccccc12
InChIInChI=1S/C22H26N2O3/c1-4-9-23-22(25)12-17-15-24(21-8-6-5-7-20(17)21)14-16-10-18(26-2)13-19(11-16)27-3/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,23,25)
InChIKeySQTFNUDSDIDYSL-UHFFFAOYSA-N
XLogP3.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide?
The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide (CID 41109158) is 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1cn(Cc2cc(OC)cc(OC)c2)c2ccccc12.
What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide?
The InChIKey is SQTFNUDSDIDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-9-23-22(25)12-17-15-24(21-8-6-5-7-20(17)21)14-16-10-18(26-2)13-19(11-16)27-3/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,23,25).
What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide?
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide has a molecular weight of 366.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide is sourced from PubChem (CID 41109158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).