4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one

C14H20N2O2 — CID 103154159

IUPAC4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H20N2O2/c1-10-7-11-5-3-4-6-13(11)16(10)14(17)8-12(9-15)18-2/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeySVJXKLZYZHOQSD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds4

About 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one

4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 103154159) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID103154159
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H20N2O2/c1-10-7-11-5-3-4-6-13(11)16(10)14(17)8-12(9-15)18-2/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeySVJXKLZYZHOQSD-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-methoxybutan-1-one;dihydrochloride
CID 120597206
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] carbamimidothioate;hydrochloride
CID 71669841
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one (CID 103154159) is 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one is COC(CN)CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is SVJXKLZYZHOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-11-5-3-4-6-13(11)16(10)14(17)8-12(9-15)18-2/h3-6,10,12H,7-9,15H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 103154159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).