N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide

C17H19NO2 — CID 25208283

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-18(17(19)15-6-4-3-5-7-15)13-12-14-8-10-16(20-2)11-9-14/h3-11H,12-13H2,1-2H3
InChIKeyMKXALYIEIUEYRE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide

N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 25208283) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID25208283
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-18(17(19)15-6-4-3-5-7-15)13-12-14-8-10-16(20-2)11-9-14/h3-11H,12-13H2,1-2H3
InChIKeyMKXALYIEIUEYRE-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide (CID 25208283) is N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccc(CCN(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is MKXALYIEIUEYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(17(19)15-6-4-3-5-7-15)13-12-14-8-10-16(20-2)11-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 25208283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).