N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide

C24H28N4O2 — CID 166216577

IUPACN-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide
SMILESCCN(CC)Cc1ccccc1NC(=O)C(=O)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C24H28N4O2/c1-3-26(4-2)16-19-10-5-7-11-21(19)25-23(29)24(30)27-13-14-28-20(17-27)15-18-9-6-8-12-22(18)28/h5-12,15H,3-4,13-14,16-17H2,1-2H3,(H,25,29)
InChIKeyQGNPDBRLTIOIDX-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide

N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide (PubChem CID 166216577) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide
PubChem CID166216577
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide
SMILESCCN(CC)Cc1ccccc1NC(=O)C(=O)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C24H28N4O2/c1-3-26(4-2)16-19-10-5-7-11-21(19)25-23(29)24(30)27-13-14-28-20(17-27)15-18-9-6-8-12-22(18)28/h5-12,15H,3-4,13-14,16-17H2,1-2H3,(H,25,29)
InChIKeyQGNPDBRLTIOIDX-UHFFFAOYSA-N
XLogP3.46
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide 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-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide (CID 166216577) is N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide is CCN(CC)Cc1ccccc1NC(=O)C(=O)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide?
The InChIKey is QGNPDBRLTIOIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-26(4-2)16-19-10-5-7-11-21(19)25-23(29)24(30)27-13-14-28-20(17-27)15-18-9-6-8-12-22(18)28/h5-12,15H,3-4,13-14,16-17H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide?
N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 166216577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).