N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C20H23NO2 — CID 19876157

IUPACN-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1cccc2c1CC(NC(C)=O)CC2Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-14(22)21-17-12-16(11-15-7-4-3-5-8-15)18-9-6-10-20(23-2)19(18)13-17/h3-10,16-17H,11-13H2,1-2H3,(H,21,22)
InChIKeyCEDJHDIURNKMDJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.47
Rot. Bonds4

About N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 19876157) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID19876157
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1cccc2c1CC(NC(C)=O)CC2Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-14(22)21-17-12-16(11-15-7-4-3-5-8-15)18-9-6-10-20(23-2)19(18)13-17/h3-10,16-17H,11-13H2,1-2H3,(H,21,22)
InChIKeyCEDJHDIURNKMDJ-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 19876157) is N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is COc1cccc2c1CC(NC(C)=O)CC2Cc1ccccc1.
What is the InChIKey of N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is CEDJHDIURNKMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(22)21-17-12-16(11-15-7-4-3-5-8-15)18-9-6-10-20(23-2)19(18)13-17/h3-10,16-17H,11-13H2,1-2H3,(H,21,22).
What are the key properties of N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 19876157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).