(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide

C24H26N4O3 — CID 92716649

IUPAC(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](CC)n1nc(C)n2c(cc3cc(C)ccc32)c1=O
InChIInChI=1S/C24H26N4O3/c1-5-19(23(29)25-18-9-7-8-10-22(18)31-6-2)28-24(30)21-14-17-13-15(3)11-12-20(17)27(21)16(4)26-28/h7-14,19H,5-6H2,1-4H3,(H,25,29)/t19-/m1/s1
InChIKeyLOSMVEYZENHUNN-LJQANCHMSA-N
MW418.50 g/mol
LogP4.25
Rot. Bonds6

About (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide

(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide (PubChem CID 92716649) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide
PubChem CID92716649
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](CC)n1nc(C)n2c(cc3cc(C)ccc32)c1=O
InChIInChI=1S/C24H26N4O3/c1-5-19(23(29)25-18-9-7-8-10-22(18)31-6-2)28-24(30)21-14-17-13-15(3)11-12-20(17)27(21)16(4)26-28/h7-14,19H,5-6H2,1-4H3,(H,25,29)/t19-/m1/s1
InChIKeyLOSMVEYZENHUNN-LJQANCHMSA-N
XLogP4.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 92735258
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)butanamide
CID 46301214
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
CID 50794209
2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 20893863
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884692
N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 110430033
(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 6468024
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 2591223
2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 20893731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide (CID 92716649) is (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)[C@@H](CC)n1nc(C)n2c(cc3cc(C)ccc32)c1=O.
What is the InChIKey of (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide?
The InChIKey is LOSMVEYZENHUNN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-5-19(23(29)25-18-9-7-8-10-22(18)31-6-2)28-24(30)21-14-17-13-15(3)11-12-20(17)27(21)16(4)26-28/h7-14,19H,5-6H2,1-4H3,(H,25,29)/t19-/m1/s1.
What are the key properties of (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide?
(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide has a molecular weight of 418.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide is sourced from PubChem (CID 92716649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).