N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide

C13H15NO2 — CID 59293485

IUPACN-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide
SMILESCOc1cccc2c1CCC(NC(C)=O)=C2
InChIInChI=1S/C13H15NO2/c1-9(15)14-11-6-7-12-10(8-11)4-3-5-13(12)16-2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyLIRALRWSMCYHNX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds2

About N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide

N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide (PubChem CID 59293485) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide
PubChem CID59293485
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide
SMILESCOc1cccc2c1CCC(NC(C)=O)=C2
InChIInChI=1S/C13H15NO2/c1-9(15)14-11-6-7-12-10(8-11)4-3-5-13(12)16-2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyLIRALRWSMCYHNX-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide (CID 59293485) is N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide is COc1cccc2c1CCC(NC(C)=O)=C2.
What is the InChIKey of N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide?
The InChIKey is LIRALRWSMCYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)14-11-6-7-12-10(8-11)4-3-5-13(12)16-2/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide?
N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 59293485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).