N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide

C22H23NO2 — CID 2222927

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(OCCNC(=O)Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C22H23NO2/c1-16-10-11-20(14-17(16)2)25-13-12-23-22(24)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14H,12-13,15H2,1-2H3,(H,23,24)
InChIKeyUOSKXAOSLLEGQO-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide

N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 2222927) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
PubChem CID2222927
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(OCCNC(=O)Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C22H23NO2/c1-16-10-11-20(14-17(16)2)25-13-12-23-22(24)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14H,12-13,15H2,1-2H3,(H,23,24)
InChIKeyUOSKXAOSLLEGQO-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-(3,4-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]-3-naphthalen-1-ylpropanamide
CID 100508850
N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 30349918
N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 17428422
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 3397636
N-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide (CID 2222927) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide is Cc1ccc(OCCNC(=O)Cc2cccc3ccccc23)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UOSKXAOSLLEGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-10-11-20(14-17(16)2)25-13-12-23-22(24)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14H,12-13,15H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide?
N-[2-(3,4-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-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 2222927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).