3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one

C16H25N3O — CID 43586810

IUPAC3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(C)CC(C)CC)ccc21
InChIInChI=1S/C16H25N3O/c1-5-11(3)10-19(4)12-7-8-13-14(9-12)18-16(20)15(13)17-6-2/h7-9,11,15,17H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyOGDBCNSOVUICFU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.77
Rot. Bonds6

About 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one

3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43586810) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
PubChem CID43586810
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(C)CC(C)CC)ccc21
InChIInChI=1S/C16H25N3O/c1-5-11(3)10-19(4)12-7-8-13-14(9-12)18-16(20)15(13)17-6-2/h7-9,11,15,17H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyOGDBCNSOVUICFU-UHFFFAOYSA-N
XLogP2.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586791
3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43586798
3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 61422291
6-[methyl(3-methylbutan-2-yl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586856
3-(ethylamino)-6-(2-propan-2-yloxyethoxy)-1,3-dihydroindol-2-one
CID 63370564
6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 102863499
6-[2-(dimethylamino)ethoxy]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 63369857
6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79349040
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562
5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63632477
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one (CID 43586810) is 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N(C)CC(C)CC)ccc21.
What is the InChIKey of 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is OGDBCNSOVUICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-11(3)10-19(4)12-7-8-13-14(9-12)18-16(20)15(13)17-6-2/h7-9,11,15,17H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).