N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide

C20H22N2O3 — CID 3267796

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
InChIInChI=1S/C20H22N2O3/c1-13-9-16-10-14(5-7-17(16)22(13)2)12-21-20(23)15-6-8-18(24-3)19(11-15)25-4/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyIEOYMQNPCYYMOR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.43
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide

N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide (PubChem CID 3267796) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide
PubChem CID3267796
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
InChIInChI=1S/C20H22N2O3/c1-13-9-16-10-14(5-7-17(16)22(13)2)12-21-20(23)15-6-8-18(24-3)19(11-15)25-4/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyIEOYMQNPCYYMOR-UHFFFAOYSA-N
XLogP3.43
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide (CID 3267796) is N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is IEOYMQNPCYYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-9-16-10-14(5-7-17(16)22(13)2)12-21-20(23)15-6-8-18(24-3)19(11-15)25-4/h5-11H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide?
N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3267796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).