N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide

C15H19NO2 — CID 90348267

IUPACN-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide
SMILESCOC1=CC2C(=CC=CC2CCNC(C)=O)C=C1
InChIInChI=1S/C15H19NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10,13,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyXZANRVFURXBBHX-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide

N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide (PubChem CID 90348267) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide
PubChem CID90348267
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide
SMILESCOC1=CC2C(=CC=CC2CCNC(C)=O)C=C1
InChIInChI=1S/C15H19NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10,13,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyXZANRVFURXBBHX-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide (CID 90348267) is N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide is COC1=CC2C(=CC=CC2CCNC(C)=O)C=C1.
What is the InChIKey of N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is XZANRVFURXBBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10,13,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 245.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 90348267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).