1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one

C18H28N2O2 — CID 82341068

IUPAC1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1c2ccc(C(O)CCN)cc2CC1C
InChIInChI=1S/C18H28N2O2/c1-4-13(5-2)18(22)20-12(3)10-15-11-14(6-7-16(15)20)17(21)8-9-19/h6-7,11-13,17,21H,4-5,8-10,19H2,1-3H3
InChIKeyYAZUTBGVYPUYQF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.78
Rot. Bonds6

About 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one

1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one (PubChem CID 82341068) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
PubChem CID82341068
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1c2ccc(C(O)CCN)cc2CC1C
InChIInChI=1S/C18H28N2O2/c1-4-13(5-2)18(22)20-12(3)10-15-11-14(6-7-16(15)20)17(21)8-9-19/h6-7,11-13,17,21H,4-5,8-10,19H2,1-3H3
InChIKeyYAZUTBGVYPUYQF-UHFFFAOYSA-N
XLogP2.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one with MolForge

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Related Compounds

1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341066
1-[5-(2-bromopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82258678
1-[5-(2-bromo-2-methylpropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82259583
2-ethyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260575
1-[5-(2-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82341084
1-[5-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 16676708
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 51593365
3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol
CID 84787556
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
CID 117203210
4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82341110

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one (CID 82341068) is 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1c2ccc(C(O)CCN)cc2CC1C.
What is the InChIKey of 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
The InChIKey is YAZUTBGVYPUYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-13(5-2)18(22)20-12(3)10-15-11-14(6-7-16(15)20)17(21)8-9-19/h6-7,11-13,17,21H,4-5,8-10,19H2,1-3H3.
What are the key properties of 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 82341068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).