(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide

C24H27NO2 — CID 100509329

IUPAC(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
SMILESCCc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H27NO2/c1-3-19-11-13-22(14-12-19)27-16-15-25-24(26)18(2)17-21-9-6-8-20-7-4-5-10-23(20)21/h4-14,18H,3,15-17H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyYLSSQIBTJZTKPQ-SFHVURJKSA-N
MW361.49 g/mol
LogP4.78
Rot. Bonds8

About (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide

(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide (PubChem CID 100509329) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
PubChem CID100509329
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
SMILESCCc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H27NO2/c1-3-19-11-13-22(14-12-19)27-16-15-25-24(26)18(2)17-21-9-6-8-20-7-4-5-10-23(20)21/h4-14,18H,3,15-17H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyYLSSQIBTJZTKPQ-SFHVURJKSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.78
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

(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509267
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094
N-[2-(4-ethylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133164555
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307321
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
N-[2-(4-propylphenoxy)ethyl]naphthalene-1-carboxamide
CID 2297093
N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113100092
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide (CID 100509329) is (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide is CCc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The InChIKey is YLSSQIBTJZTKPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-19-11-13-22(14-12-19)27-16-15-25-24(26)18(2)17-21-9-6-8-20-7-4-5-10-23(20)21/h4-14,18H,3,15-17H2,1-2H3,(H,25,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide has a molecular weight of 361.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 100509329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).