N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide

C22H23NO3 — CID 9266687

IUPACN-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)COc1ccc(C)cc1OC)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-4-23(19-11-7-9-17-8-5-6-10-18(17)19)22(24)15-26-20-13-12-16(2)14-21(20)25-3/h5-14H,4,15H2,1-3H3
InChIKeyQLPSPHOGYQNWSJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.59
Rot. Bonds6

About N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide

N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide (PubChem CID 9266687) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
PubChem CID9266687
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)COc1ccc(C)cc1OC)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-4-23(19-11-7-9-17-8-5-6-10-18(17)19)22(24)15-26-20-13-12-16(2)14-21(20)25-3/h5-14H,4,15H2,1-3H3
InChIKeyQLPSPHOGYQNWSJ-UHFFFAOYSA-N
XLogP4.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide (CID 9266687) is N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide is CCN(C(=O)COc1ccc(C)cc1OC)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide?
The InChIKey is QLPSPHOGYQNWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-4-23(19-11-7-9-17-8-5-6-10-18(17)19)22(24)15-26-20-13-12-16(2)14-21(20)25-3/h5-14H,4,15H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide?
N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 9266687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).