6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one

C16H25N3O — CID 43586791

IUPAC6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(N(C)CC(C)C)ccc21
InChIInChI=1S/C16H25N3O/c1-5-8-17-15-13-7-6-12(19(4)10-11(2)3)9-14(13)18-16(15)20/h6-7,9,11,15,17H,5,8,10H2,1-4H3,(H,18,20)
InChIKeyCCYXHRMXWPBOQA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.77
Rot. Bonds6

About 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one

6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 43586791) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID43586791
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(N(C)CC(C)C)ccc21
InChIInChI=1S/C16H25N3O/c1-5-8-17-15-13-7-6-12(19(4)10-11(2)3)9-14(13)18-16(15)20/h6-7,9,11,15,17H,5,8,10H2,1-4H3,(H,18,20)
InChIKeyCCYXHRMXWPBOQA-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(3-methylbutan-2-yl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586856
3-(ethylamino)-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 43586810
3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43586798
2-[cyanomethyl-[2-oxo-3-(propylamino)-1,3-dihydroindol-6-yl]amino]acetonitrile
CID 43586576
6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 63369902
6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 107750805
5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 79343471
3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 61422291
3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 63370367
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63632477
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 82236806
6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 60884081

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one (CID 43586791) is 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(N(C)CC(C)C)ccc21.
What is the InChIKey of 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is CCYXHRMXWPBOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-8-17-15-13-7-6-12(19(4)10-11(2)3)9-14(13)18-16(15)20/h6-7,9,11,15,17H,5,8,10H2,1-4H3,(H,18,20).
What are the key properties of 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
6-[methyl(2-methylpropyl)amino]-3-(propylamino)-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 6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).