2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide

C23H25NO2 — CID 133202094

IUPAC2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
SMILESCC(Cc1cccc2ccccc12)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(16-21-12-7-11-20-10-5-6-13-22(20)21)23(25)24-14-15-26-17-19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,24,25)
InChIKeyVJUOBTPHGIPPNE-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.35
Rot. Bonds8

About 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide

2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide (PubChem CID 133202094) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
PubChem CID133202094
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
SMILESCC(Cc1cccc2ccccc12)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(16-21-12-7-11-20-10-5-6-13-22(20)21)23(25)24-14-15-26-17-19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,24,25)
InChIKeyVJUOBTPHGIPPNE-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.35
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

3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 100508752
(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509329
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509267
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
benzyl 2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoate
CID 10409302
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
The IUPAC name of 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide (CID 133202094) is 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide.
What is the SMILES notation for 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
The canonical SMILES for 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide is CC(Cc1cccc2ccccc12)C(=O)NCCOCc1ccccc1.
What is the InChIKey of 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
The InChIKey is VJUOBTPHGIPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-18(16-21-12-7-11-20-10-5-6-13-22(20)21)23(25)24-14-15-26-17-19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,24,25).
What are the key properties of 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide is sourced from PubChem (CID 133202094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).