6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione

C16H20N2O3 — CID 102863269

IUPAC6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(N(CCCO)C3CCC3)cc21
InChIInChI=1S/C16H20N2O3/c1-17-14-10-12(6-7-13(14)15(20)16(17)21)18(8-3-9-19)11-4-2-5-11/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKeyWVYFGNONSMMUCX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.59
Rot. Bonds5

About 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione

6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione (PubChem CID 102863269) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione
PubChem CID102863269
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(N(CCCO)C3CCC3)cc21
InChIInChI=1S/C16H20N2O3/c1-17-14-10-12(6-7-13(14)15(20)16(17)21)18(8-3-9-19)11-4-2-5-11/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKeyWVYFGNONSMMUCX-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione
CID 81309495
6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione
CID 107399167
1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione
CID 81300341
6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione
CID 81309496
6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione
CID 81309567
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
CID 102864101
3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
CID 102859413
1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione
CID 82739706
6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione
CID 81308900
4-[cyclobutyl(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione (CID 102863269) is 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2ccc(N(CCCO)C3CCC3)cc21.
What is the InChIKey of 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione?
The InChIKey is WVYFGNONSMMUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-14-10-12(6-7-13(14)15(20)16(17)21)18(8-3-9-19)11-4-2-5-11/h6-7,10-11,19H,2-5,8-9H2,1H3.
What are the key properties of 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione?
6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(3-hydroxypropyl)amino]-1-methylindole-2,3-dione is sourced from PubChem (CID 102863269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).