N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide

C25H33NO2 — CID 10571784

IUPACN-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide
SMILESCCCCC/C=C\COc1ccc(CC(=O)N(C)CCc2ccccc2)cc1
InChIInChI=1S/C25H33NO2/c1-3-4-5-6-7-11-20-28-24-16-14-23(15-17-24)21-25(27)26(2)19-18-22-12-9-8-10-13-22/h7-17H,3-6,18-21H2,1-2H3/b11-7-
InChIKeyHBIGMZKGEPZMPF-XFFZJAGNSA-N
MW379.54 g/mol
LogP5.45
Rot. Bonds12

About N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide

N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide (PubChem CID 10571784) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide
PubChem CID10571784
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide
SMILESCCCCC/C=C\COc1ccc(CC(=O)N(C)CCc2ccccc2)cc1
InChIInChI=1S/C25H33NO2/c1-3-4-5-6-7-11-20-28-24-16-14-23(15-17-24)21-25(27)26(2)19-18-22-12-9-8-10-13-22/h7-17H,3-6,18-21H2,1-2H3/b11-7-
InChIKeyHBIGMZKGEPZMPF-XFFZJAGNSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide (CID 10571784) is N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide is CCCCC/C=C\COc1ccc(CC(=O)N(C)CCc2ccccc2)cc1.
What is the InChIKey of N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide?
The InChIKey is HBIGMZKGEPZMPF-XFFZJAGNSA-N. The full InChI is InChI=1S/C25H33NO2/c1-3-4-5-6-7-11-20-28-24-16-14-23(15-17-24)21-25(27)26(2)19-18-22-12-9-8-10-13-22/h7-17H,3-6,18-21H2,1-2H3/b11-7-.
What are the key properties of N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide?
N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide has a molecular weight of 379.54 g/mol, XLogP of 5.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 10571784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).