(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one

C20H32N2O — CID 174355710

IUPAC(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one
SMILESCCN[C@@H](CC1Cc2ccccc2N1C(C)(C)C)C(=O)C(C)C
InChIInChI=1S/C20H32N2O/c1-7-21-17(19(23)14(2)3)13-16-12-15-10-8-9-11-18(15)22(16)20(4,5)6/h8-11,14,16-17,21H,7,12-13H2,1-6H3/t16?,17-/m0/s1
InChIKeyYTQVGASHHAIMST-DJNXLDHESA-N
MW316.49 g/mol
LogP3.81
Rot. Bonds6

About (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one

(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one (PubChem CID 174355710) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one.

Molecular Properties

Compound Name(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one
PubChem CID174355710
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one
SMILESCCN[C@@H](CC1Cc2ccccc2N1C(C)(C)C)C(=O)C(C)C
InChIInChI=1S/C20H32N2O/c1-7-21-17(19(23)14(2)3)13-16-12-15-10-8-9-11-18(15)22(16)20(4,5)6/h8-11,14,16-17,21H,7,12-13H2,1-6H3/t16?,17-/m0/s1
InChIKeyYTQVGASHHAIMST-DJNXLDHESA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
CID 68984738
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid
CID 80566806
1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62837015
(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
CID 130412834
2,3-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 115000661
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one?
The IUPAC name of (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one (CID 174355710) is (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one.
What is the SMILES notation for (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one?
The canonical SMILES for (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one is CCN[C@@H](CC1Cc2ccccc2N1C(C)(C)C)C(=O)C(C)C.
What is the InChIKey of (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one?
The InChIKey is YTQVGASHHAIMST-DJNXLDHESA-N. The full InChI is InChI=1S/C20H32N2O/c1-7-21-17(19(23)14(2)3)13-16-12-15-10-8-9-11-18(15)22(16)20(4,5)6/h8-11,14,16-17,21H,7,12-13H2,1-6H3/t16?,17-/m0/s1.
What are the key properties of (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one?
(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one has a molecular weight of 316.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one is sourced from PubChem (CID 174355710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).