2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide

C22H27N3O — CID 2998149

IUPAC2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2CC(=O)N(C)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-16-9-10-20-18(13-16)19-14-23(2)12-11-21(19)25(20)15-22(26)24(3)17-7-5-4-6-8-17/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyZELVKWOOZROPCQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide

2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide (PubChem CID 2998149) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide
PubChem CID2998149
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2CC(=O)N(C)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-16-9-10-20-18(13-16)19-14-23(2)12-11-21(19)25(20)15-22(26)24(3)17-7-5-4-6-8-17/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyZELVKWOOZROPCQ-UHFFFAOYSA-N
XLogP3.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide 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 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide (CID 2998149) is 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide is Cc1ccc2c(c1)C1CN(C)CCC1N2CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide?
The InChIKey is ZELVKWOOZROPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-9-10-20-18(13-16)19-14-23(2)12-11-21(19)25(20)15-22(26)24(3)17-7-5-4-6-8-17/h4-10,13,19,21H,11-12,14-15H2,1-3H3.
What are the key properties of 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide?
2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide has a molecular weight of 349.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 2998149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).