N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C13H17NO2 — CID 10013697

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc2c(c1)CC(NC(C)=O)CC2
InChIInChI=1S/C13H17NO2/c1-9(15)14-12-5-3-10-4-6-13(16-2)8-11(10)7-12/h4,6,8,12H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyYLSJLYYBVHQMEQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.69
Rot. Bonds2

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 10013697) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID10013697
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc2c(c1)CC(NC(C)=O)CC2
InChIInChI=1S/C13H17NO2/c1-9(15)14-12-5-3-10-4-6-13(16-2)8-11(10)7-12/h4,6,8,12H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyYLSJLYYBVHQMEQ-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 10013697) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is COc1ccc2c(c1)CC(NC(C)=O)CC2.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is YLSJLYYBVHQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(15)14-12-5-3-10-4-6-13(16-2)8-11(10)7-12/h4,6,8,12H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 219.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 10013697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).