N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

C17H23NO2 — CID 94282659

IUPACN-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESCC(C)(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-16(20)10-9-15(19)14-8-7-12-5-4-6-13(12)11-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyAMYSQQCLZHCZIC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.05
Rot. Bonds4

About N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (PubChem CID 94282659) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
PubChem CID94282659
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESCC(C)(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-16(20)10-9-15(19)14-8-7-12-5-4-6-13(12)11-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyAMYSQQCLZHCZIC-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
2-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 120688866
N-(2-amino-2-ethylbutyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119640425
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
(2S)-2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119360111
1-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]cyclopropane-1-carboxylic acid
CID 120688386
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The IUPAC name of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (CID 94282659) is N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is CC(C)(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The InChIKey is AMYSQQCLZHCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)18-16(20)10-9-15(19)14-8-7-12-5-4-6-13(12)11-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide has a molecular weight of 273.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is sourced from PubChem (CID 94282659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).