1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione

C15H20N2O3 — CID 43343151

IUPAC1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione
SMILESCCCNCC(O)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-6-16-8-11(18)9-17-13-5-4-10(2)7-12(13)14(19)15(17)20/h4-5,7,11,16,18H,3,6,8-9H2,1-2H3
InChIKeyMUUZTAIFIJCXIW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.88
Rot. Bonds6

About 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione

1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione (PubChem CID 43343151) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione
PubChem CID43343151
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione
SMILESCCCNCC(O)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-6-16-8-11(18)9-17-13-5-4-10(2)7-12(13)14(19)15(17)20/h4-5,7,11,16,18H,3,6,8-9H2,1-2H3
InChIKeyMUUZTAIFIJCXIW-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione 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

5-methyl-1-(2-methylpentyl)indole-2,3-dione
CID 55055195
5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 43343141
1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681
2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 61490183
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
methyl 2-ethyl-4-(5-methyl-2,3-dioxoindol-1-yl)but-2-enoate
CID 77100945
N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61485983
5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
CID 62664853
1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
CID 61387641
1-(2-cyclopropyl-2-oxoethyl)-5-methylindole-2,3-dione
CID 63914584
5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103071684

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione (CID 43343151) is 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione is CCCNCC(O)CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione?
The InChIKey is MUUZTAIFIJCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-6-16-8-11(18)9-17-13-5-4-10(2)7-12(13)14(19)15(17)20/h4-5,7,11,16,18H,3,6,8-9H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione?
1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione has a molecular weight of 276.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 43343151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).