methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate

C15H17NO4 — CID 21063015

IUPACmethyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
SMILESCOC(=O)CC1CCc2cc(NC(C)=O)ccc2C1=O
InChIInChI=1S/C15H17NO4/c1-9(17)16-12-5-6-13-10(7-12)3-4-11(15(13)19)8-14(18)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyXFVJFPAQOCZADH-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.95
Rot. Bonds3

About methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate

methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate (PubChem CID 21063015) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
PubChem CID21063015
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
SMILESCOC(=O)CC1CCc2cc(NC(C)=O)ccc2C1=O
InChIInChI=1S/C15H17NO4/c1-9(17)16-12-5-6-13-10(7-12)3-4-11(15(13)19)8-14(18)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyXFVJFPAQOCZADH-UHFFFAOYSA-N
XLogP1.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate (CID 21063015) is methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate is COC(=O)CC1CCc2cc(NC(C)=O)ccc2C1=O.
What is the InChIKey of methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
The InChIKey is XFVJFPAQOCZADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(17)16-12-5-6-13-10(7-12)3-4-11(15(13)19)8-14(18)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate has a molecular weight of 275.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate is sourced from PubChem (CID 21063015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).