3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one

C17H27N3O — CID 43207929

IUPAC3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NCC(CC(C)C)N(C)C)C(=O)N2
InChIInChI=1S/C17H27N3O/c1-11(2)8-13(20(4)5)10-18-16-14-9-12(3)6-7-15(14)19-17(16)21/h6-7,9,11,13,16,18H,8,10H2,1-5H3,(H,19,21)
InChIKeyGMTPWUOSDWDIAY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.55
Rot. Bonds6

About 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one

3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43207929) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one
PubChem CID43207929
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NCC(CC(C)C)N(C)C)C(=O)N2
InChIInChI=1S/C17H27N3O/c1-11(2)8-13(20(4)5)10-18-16-14-9-12(3)6-7-15(14)19-17(16)21/h6-7,9,11,13,16,18H,8,10H2,1-5H3,(H,19,21)
InChIKeyGMTPWUOSDWDIAY-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dimethylamino)-4-methylpentyl]amino]-1,3-dihydroindol-2-one
CID 43207898
methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
CID 43688975
3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
CID 43533291
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373
5-methyl-3-(2-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43192468
3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one
CID 43726504
5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 114999748
N-cyclopropyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43568273
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43098558
3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43823625
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one (CID 43207929) is 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(NCC(CC(C)C)N(C)C)C(=O)N2.
What is the InChIKey of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is GMTPWUOSDWDIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(2)8-13(20(4)5)10-18-16-14-9-12(3)6-7-15(14)19-17(16)21/h6-7,9,11,13,16,18H,8,10H2,1-5H3,(H,19,21).
What are the key properties of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one?
3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 289.42 g/mol, XLogP of 2.55, 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]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43207929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).