N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide

C18H19NO3 — CID 134060022

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13-3-7-15(8-4-13)17(20)18(21)19-12-11-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyUFUZUUJRCPLTGA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 134060022) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID134060022
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13-3-7-15(8-4-13)17(20)18(21)19-12-11-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyUFUZUUJRCPLTGA-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide (CID 134060022) is N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide is COc1ccc(CCNC(=O)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is UFUZUUJRCPLTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-3-7-15(8-4-13)17(20)18(21)19-12-11-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 297.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 134060022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).