N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide

C22H23NO2 — CID 30349918

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(C)cc(OCCNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H23NO2/c1-16-12-17(2)14-20(13-16)25-11-10-23-22(24)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,24)
InChIKeyCNXHIZUUZDZOIK-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 30349918) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
PubChem CID30349918
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(C)cc(OCCNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H23NO2/c1-16-12-17(2)14-20(13-16)25-11-10-23-22(24)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,24)
InChIKeyCNXHIZUUZDZOIK-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151
3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19171375
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 60542543
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide (CID 30349918) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide is Cc1cc(C)cc(OCCNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is CNXHIZUUZDZOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-12-17(2)14-20(13-16)25-11-10-23-22(24)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 333.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 30349918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).