2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H26N2O2 — CID 4876395

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccccc1CN(C)CC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-23(14-17-9-4-6-13-20(17)25-2)15-21(24)22-19-12-7-10-16-8-3-5-11-18(16)19/h3-6,8-9,11,13,19H,7,10,12,14-15H2,1-2H3,(H,22,24)
InChIKeyDBMJRQQAJHYQGS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.32
Rot. Bonds6

About 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4876395) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4876395
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccccc1CN(C)CC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-23(14-17-9-4-6-13-20(17)25-2)15-21(24)22-19-12-7-10-16-8-3-5-11-18(16)19/h3-6,8-9,11,13,19H,7,10,12,14-15H2,1-2H3,(H,22,24)
InChIKeyDBMJRQQAJHYQGS-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4876395) is 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccccc1CN(C)CC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is DBMJRQQAJHYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(14-17-9-4-6-13-20(17)25-2)15-21(24)22-19-12-7-10-16-8-3-5-11-18(16)19/h3-6,8-9,11,13,19H,7,10,12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4876395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).