6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione

C16H22N2O3 — CID 81300463

IUPAC6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione
SMILESCOCCN(CC(C)C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C16H22N2O3/c1-11(2)10-18(7-8-21-4)12-5-6-13-14(9-12)17(3)16(20)15(13)19/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyNPCXGGFKHGUWEO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.95
Rot. Bonds6

About 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione

6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione (PubChem CID 81300463) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione
PubChem CID81300463
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione
SMILESCOCCN(CC(C)C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C16H22N2O3/c1-11(2)10-18(7-8-21-4)12-5-6-13-14(9-12)17(3)16(20)15(13)19/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyNPCXGGFKHGUWEO-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione
CID 81309564
1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione
CID 81309049
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione
CID 81308900
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
CID 81276883
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione
CID 81302020
2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)pyridine-2,4-diamine
CID 113367660
6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione
CID 81309567
2-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 62285332
6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione
CID 81309495
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione (CID 81300463) is 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione is COCCN(CC(C)C)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione?
The InChIKey is NPCXGGFKHGUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)10-18(7-8-21-4)12-5-6-13-14(9-12)17(3)16(20)15(13)19/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione?
6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione has a molecular weight of 290.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81300463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).