2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide

C21H22N2O2 — CID 2548868

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/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/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyXDXPCXCXSNMAHX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.92
Rot. Bonds6

About 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide

2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 2548868) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID2548868
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/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/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyXDXPCXCXSNMAHX-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.92
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-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide (CID 2548868) is 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide is COc1ccccc1CN(C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is XDXPCXCXSNMAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/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/h3-13H,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide?
2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.92, 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 2548868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).