3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine

C26H29N3O3 — CID 142139866

IUPAC3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine
SMILESCCOc1cc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c1)CCCC2.CNC
InChIInChI=1S/C24H22N2O3.C2H7N/c1-2-29-15-11-14-7-3-4-8-16(14)18(12-15)21-22(24(28)26-23(21)27)19-13-25-20-10-6-5-9-17(19)20;1-3-2/h5-6,9-13,25H,2-4,7-8H2,1H3,(H,26,27,28);3H,1-2H3
InChIKeyGGLHHWKKRVRBQV-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.85
Rot. Bonds4

About 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine

3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine (PubChem CID 142139866) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine.

Molecular Properties

Compound Name3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine
PubChem CID142139866
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine
SMILESCCOc1cc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c1)CCCC2.CNC
InChIInChI=1S/C24H22N2O3.C2H7N/c1-2-29-15-11-14-7-3-4-8-16(14)18(12-15)21-22(24(28)26-23(21)27)19-13-25-20-10-6-5-9-17(19)20;1-3-2/h5-6,9-13,25H,2-4,7-8H2,1H3,(H,26,27,28);3H,1-2H3
InChIKeyGGLHHWKKRVRBQV-UHFFFAOYSA-N
XLogP3.85
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine 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

3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione
CID 150684800
3-(1H-indol-3-yl)-4-(6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 22556672
3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10639498
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;5,6-bis(4-methoxyanilino)isoindole-1,3-dione
CID 161218746
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine?
The IUPAC name of 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine (CID 142139866) is 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine.
What is the SMILES notation for 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine?
The canonical SMILES for 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine is CCOc1cc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c1)CCCC2.CNC.
What is the InChIKey of 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine?
The InChIKey is GGLHHWKKRVRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3.C2H7N/c1-2-29-15-11-14-7-3-4-8-16(14)18(12-15)21-22(24(28)26-23(21)27)19-13-25-20-10-6-5-9-17(19)20;1-3-2/h5-6,9-13,25H,2-4,7-8H2,1H3,(H,26,27,28);3H,1-2H3.
What are the key properties of 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine?
3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine has a molecular weight of 431.54 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine is sourced from PubChem (CID 142139866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).