N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide

C21H22N2O3 — CID 2367726

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide
SMILESCOc1ccc(CCNC(=O)COc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-13-21(23-19-6-4-3-5-18(15)19)26-14-20(24)22-12-11-16-7-9-17(25-2)10-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChIKeyJLTDTTAHQALTLU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide (PubChem CID 2367726) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide
PubChem CID2367726
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide
SMILESCOc1ccc(CCNC(=O)COc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-13-21(23-19-6-4-3-5-18(15)19)26-14-20(24)22-12-11-16-7-9-17(25-2)10-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChIKeyJLTDTTAHQALTLU-UHFFFAOYSA-N
XLogP3.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide (CID 2367726) is N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide is COc1ccc(CCNC(=O)COc2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide?
The InChIKey is JLTDTTAHQALTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-13-21(23-19-6-4-3-5-18(15)19)26-14-20(24)22-12-11-16-7-9-17(25-2)10-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide has a molecular weight of 350.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)oxyacetamide is sourced from PubChem (CID 2367726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).