ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate

C18H23NO4 — CID 108807177

IUPACethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H23NO4/c1-2-23-18(22)12-19-17(21)10-9-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,21)
InChIKeyYBRSDFGCUFOSOQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.21
Rot. Bonds7

About ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate

ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate (PubChem CID 108807177) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
PubChem CID108807177
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Nameethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H23NO4/c1-2-23-18(22)12-19-17(21)10-9-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,21)
InChIKeyYBRSDFGCUFOSOQ-UHFFFAOYSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate with MolForge

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119640425
2-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 120688866
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
ethyl 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-oxopropanoate
CID 91173262
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
N-[(2R)-2-(ethylamino)propyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 120653209
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
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
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate (CID 108807177) is ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate is CCOC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate?
The InChIKey is YBRSDFGCUFOSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-2-23-18(22)12-19-17(21)10-9-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate?
ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate has a molecular weight of 317.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate is sourced from PubChem (CID 108807177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).