N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide

C24H27NO3 — CID 39590517

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
SMILESCCOCCOCc1cccc(CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H27NO3/c1-2-27-13-14-28-18-20-8-5-7-19(15-20)17-25-24(26)16-22-11-6-10-21-9-3-4-12-23(21)22/h3-12,15H,2,13-14,16-18H2,1H3,(H,25,26)
InChIKeyCBQFYECULZUHLW-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.25
Rot. Bonds10

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide (PubChem CID 39590517) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
PubChem CID39590517
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
SMILESCCOCCOCc1cccc(CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H27NO3/c1-2-27-13-14-28-18-20-8-5-7-19(15-20)17-25-24(26)16-22-11-6-10-21-9-3-4-12-23(21)22/h3-12,15H,2,13-14,16-18H2,1H3,(H,25,26)
InChIKeyCBQFYECULZUHLW-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-nitrobenzamide
CID 39587833
N-[3-[[3-(2-ethoxyethoxymethyl)phenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 39587196
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide
CID 86940542
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 39586980
4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide
CID 55689397
4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide
CID 86963718

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide (CID 39590517) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide is CCOCCOCc1cccc(CNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is CBQFYECULZUHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-2-27-13-14-28-18-20-8-5-7-19(15-20)17-25-24(26)16-22-11-6-10-21-9-3-4-12-23(21)22/h3-12,15H,2,13-14,16-18H2,1H3,(H,25,26).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 377.48 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 39590517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).