3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide

C23H25NO3 — CID 2981484

IUPAC3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCCOCCOc1cccc(C(=O)NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25NO3/c1-3-26-13-14-27-22-10-6-9-21(16-22)23(25)24-17(2)19-12-11-18-7-4-5-8-20(18)15-19/h4-12,15-17H,3,13-14H2,1-2H3,(H,24,25)
InChIKeySMPOTNDXOSEBDC-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.75
Rot. Bonds8

About 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide

3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide (PubChem CID 2981484) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide
PubChem CID2981484
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCCOCCOc1cccc(C(=O)NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25NO3/c1-3-26-13-14-27-22-10-6-9-21(16-22)23(25)24-17(2)19-12-11-18-7-4-5-8-20(18)15-19/h4-12,15-17H,3,13-14H2,1-2H3,(H,24,25)
InChIKeySMPOTNDXOSEBDC-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide (CID 2981484) is 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide is CCOCCOc1cccc(C(=O)NC(C)c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide?
The InChIKey is SMPOTNDXOSEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-26-13-14-27-22-10-6-9-21(16-22)23(25)24-17(2)19-12-11-18-7-4-5-8-20(18)15-19/h4-12,15-17H,3,13-14H2,1-2H3,(H,24,25).
What are the key properties of 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide?
3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-(1-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 2981484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).