methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C15H19NO3 — CID 116860571

IUPACmethyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)C(NC(C)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-10(17)16-14(15(18)19-2)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyLCBLREFUPJPKBY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 116860571) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID116860571
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)C(NC(C)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-10(17)16-14(15(18)19-2)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyLCBLREFUPJPKBY-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 116961596
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate
CID 124588523
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 116860571) is methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is COC(=O)C(NC(C)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is LCBLREFUPJPKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(17)16-14(15(18)19-2)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 261.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 116860571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).