2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide

C16H24N2O2 — CID 65455345

IUPAC2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc2c1CCCC2N
InChIInChI=1S/C16H24N2O2/c1-3-18(4-2)16(19)11-20-15-10-6-7-12-13(15)8-5-9-14(12)17/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyMMEDBTORYQOLGT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds5

About 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide

2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide (PubChem CID 65455345) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
PubChem CID65455345
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc2c1CCCC2N
InChIInChI=1S/C16H24N2O2/c1-3-18(4-2)16(19)11-20-15-10-6-7-12-13(15)8-5-9-14(12)17/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyMMEDBTORYQOLGT-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide (CID 65455345) is 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc2c1CCCC2N.
What is the InChIKey of 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide?
The InChIKey is MMEDBTORYQOLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(4-2)16(19)11-20-15-10-6-7-12-13(15)8-5-9-14(12)17/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide?
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide is sourced from PubChem (CID 65455345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).