3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one

C16H25N3O — CID 43207898

IUPAC3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one
SMILESCC(C)CC(CNC1C(=O)Nc2ccccc21)N(C)C
InChIInChI=1S/C16H25N3O/c1-11(2)9-12(19(3)4)10-17-15-13-7-5-6-8-14(13)18-16(15)20/h5-8,11-12,15,17H,9-10H2,1-4H3,(H,18,20)
InChIKeyLFHFHNOMZOEMHI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.25
Rot. Bonds6

About 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one

3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one (PubChem CID 43207898) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one
PubChem CID43207898
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one
SMILESCC(C)CC(CNC1C(=O)Nc2ccccc21)N(C)C
InChIInChI=1S/C16H25N3O/c1-11(2)9-12(19(3)4)10-17-15-13-7-5-6-8-14(13)18-16(15)20/h5-8,11-12,15,17H,9-10H2,1-4H3,(H,18,20)
InChIKeyLFHFHNOMZOEMHI-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one
CID 43207929
3-(2-phenylpropylamino)-1,3-dihydroindol-2-one
CID 43204620
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 82236806
2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 16770871
3-(3-methoxypropylamino)-1,3-dihydroindol-2-one
CID 43205039
3-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43370920
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111697545
3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43181980
3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43535566
3-(1-piperidin-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43749073
6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586791

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one (CID 43207898) is 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one is CC(C)CC(CNC1C(=O)Nc2ccccc21)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is LFHFHNOMZOEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)9-12(19(3)4)10-17-15-13-7-5-6-8-14(13)18-16(15)20/h5-8,11-12,15,17H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one?
3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43207898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).