N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C19H19N3O3 — CID 2096187

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C19H19N3O3/c1-25-15-8-6-14(7-9-15)10-11-20-18(23)13-22-17-5-3-2-4-16(17)21-12-19(22)24/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyBPELCIDIWLDDBN-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 2096187) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID2096187
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C19H19N3O3/c1-25-15-8-6-14(7-9-15)10-11-20-18(23)13-22-17-5-3-2-4-16(17)21-12-19(22)24/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyBPELCIDIWLDDBN-UHFFFAOYSA-N
XLogP1.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 2096187) is N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is COc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is BPELCIDIWLDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-15-8-6-14(7-9-15)10-11-20-18(23)13-22-17-5-3-2-4-16(17)21-12-19(22)24/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 2096187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).