N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

C16H23NO2 — CID 59991750

IUPACN-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCCOCCN(C(C)=O)C(=C(C)C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-19-12-11-17(14(4)18)16(13(2)3)15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3
InChIKeyZJDHBSYXCWMKDS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds6

About N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide (PubChem CID 59991750) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
PubChem CID59991750
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCCOCCN(C(C)=O)C(=C(C)C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-19-12-11-17(14(4)18)16(13(2)3)15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3
InChIKeyZJDHBSYXCWMKDS-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The IUPAC name of N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide (CID 59991750) is N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide is CCOCCN(C(C)=O)C(=C(C)C)c1ccccc1.
What is the InChIKey of N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The InChIKey is ZJDHBSYXCWMKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-19-12-11-17(14(4)18)16(13(2)3)15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide is sourced from PubChem (CID 59991750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).