(1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone

C22H24N2O2 — CID 745527

IUPAC(1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCCC1)c(C)n2Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-16-21(22(25)23-12-6-7-13-23)19-14-18(26-2)10-11-20(19)24(16)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
InChIKeyFDTZABFJZZAYNL-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.24
Rot. Bonds4

About (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone

(1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 745527) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID745527
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCCC1)c(C)n2Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-16-21(22(25)23-12-6-7-13-23)19-14-18(26-2)10-11-20(19)24(16)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
InChIKeyFDTZABFJZZAYNL-UHFFFAOYSA-N
XLogP4.24
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone 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 (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone (CID 745527) is (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone is COc1ccc2c(c1)c(C(=O)N1CCCC1)c(C)n2Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FDTZABFJZZAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-21(22(25)23-12-6-7-13-23)19-14-18(26-2)10-11-20(19)24(16)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3.
What are the key properties of (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
(1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 348.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methoxy-2-methylindol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 745527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).