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

C23H25NO3 — CID 100509267

IUPAC(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
SMILESCOc1cccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H25NO3/c1-17(15-19-9-5-8-18-7-3-4-12-22(18)19)23(25)24-13-14-27-21-11-6-10-20(16-21)26-2/h3-12,16-17H,13-15H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyAZOBZIHEEOSZHP-KRWDZBQOSA-N
MW363.46 g/mol
LogP4.22
Rot. Bonds8

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

(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide (PubChem CID 100509267) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
PubChem CID100509267
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
SMILESCOc1cccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H25NO3/c1-17(15-19-9-5-8-18-7-3-4-12-22(18)19)23(25)24-13-14-27-21-11-6-10-20(16-21)26-2/h3-12,16-17H,13-15H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyAZOBZIHEEOSZHP-KRWDZBQOSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide 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

(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509329
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide
CID 99646106
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46449236

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide (CID 100509267) is (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide is COc1cccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)c1.
What is the InChIKey of (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The InChIKey is AZOBZIHEEOSZHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17(15-19-9-5-8-18-7-3-4-12-22(18)19)23(25)24-13-14-27-21-11-6-10-20(16-21)26-2/h3-12,16-17H,13-15H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide has a molecular weight of 363.46 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 100509267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).