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

C18H26N2O2 — CID 82341066

IUPAC1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1c2ccc(C(=O)C(C)N)cc2CC1C
InChIInChI=1S/C18H26N2O2/c1-5-13(6-2)18(22)20-11(3)9-15-10-14(7-8-16(15)20)17(21)12(4)19/h7-8,10-13H,5-6,9,19H2,1-4H3
InChIKeyNRMHBBICECUYEK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.93
Rot. Bonds5

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

1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one (PubChem CID 82341066) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
PubChem CID82341066
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1c2ccc(C(=O)C(C)N)cc2CC1C
InChIInChI=1S/C18H26N2O2/c1-5-13(6-2)18(22)20-11(3)9-15-10-14(7-8-16(15)20)17(21)12(4)19/h7-8,10-13H,5-6,9,19H2,1-4H3
InChIKeyNRMHBBICECUYEK-UHFFFAOYSA-N
XLogP2.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82258678
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096
1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341068
1-[5-(2-bromo-2-methylpropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82259583
2-bromo-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82258673
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
2-chloro-1-[1-(2-methoxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259058
2-ethyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260575
2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 83832234
2-bromo-1-[2-methyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]propan-1-one
CID 82258686
1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 82259999
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one (CID 82341066) is 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1c2ccc(C(=O)C(C)N)cc2CC1C.
What is the InChIKey of 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
The InChIKey is NRMHBBICECUYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-13(6-2)18(22)20-11(3)9-15-10-14(7-8-16(15)20)17(21)12(4)19/h7-8,10-13H,5-6,9,19H2,1-4H3.
What are the key properties of 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one?
1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 82341066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).