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

C22H23NO2 — CID 100508752

IUPAC3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
SMILESO=C(CCc1cccc2ccccc12)NCCOCc1ccccc1
InChIInChI=1S/C22H23NO2/c24-22(23-15-16-25-17-18-7-2-1-3-8-18)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12H,13-17H2,(H,23,24)
InChIKeyLVFHWTBVPTUOQT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.11
Rot. Bonds8

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

3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide (PubChem CID 100508752) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
PubChem CID100508752
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
SMILESO=C(CCc1cccc2ccccc12)NCCOCc1ccccc1
InChIInChI=1S/C22H23NO2/c24-22(23-15-16-25-17-18-7-2-1-3-8-18)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12H,13-17H2,(H,23,24)
InChIKeyLVFHWTBVPTUOQT-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
CID 89353009
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
The IUPAC name of 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide (CID 100508752) is 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide is O=C(CCc1cccc2ccccc12)NCCOCc1ccccc1.
What is the InChIKey of 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
The InChIKey is LVFHWTBVPTUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(23-15-16-25-17-18-7-2-1-3-8-18)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12H,13-17H2,(H,23,24).
What are the key properties of 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide?
3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide is sourced from PubChem (CID 100508752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).