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

C23H25NO2 — CID 100508850

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
SMILESCc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1C
InChIInChI=1S/C23H25NO2/c1-17-10-12-21(16-18(17)2)26-15-14-24-23(25)13-11-20-8-5-7-19-6-3-4-9-22(19)20/h3-10,12,16H,11,13-15H2,1-2H3,(H,24,25)
InChIKeyRAVDLTBWZOKCKJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.58
Rot. Bonds7

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

N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide (PubChem CID 100508850) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
PubChem CID100508850
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
SMILESCc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1C
InChIInChI=1S/C23H25NO2/c1-17-10-12-21(16-18(17)2)26-15-14-24-23(25)13-11-20-8-5-7-19-6-3-4-9-22(19)20/h3-10,12,16H,11,13-15H2,1-2H3,(H,24,25)
InChIKeyRAVDLTBWZOKCKJ-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 30349918
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 100508752
N-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
N-[1-(3,4-dimethylphenyl)propyl]-3-naphthalen-1-ylpropanamide
CID 132652663
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138049489

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide (CID 100508850) is N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide is Cc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide?
The InChIKey is RAVDLTBWZOKCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-17-10-12-21(16-18(17)2)26-15-14-24-23(25)13-11-20-8-5-7-19-6-3-4-9-22(19)20/h3-10,12,16H,11,13-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.58, 7 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]-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 100508850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).