N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide

C20H21N3O3 — CID 55807023

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C20H21N3O3/c1-2-25-10-11-26-14-15-6-5-7-16(12-15)22-20(24)19-13-21-17-8-3-4-9-18(17)23-19/h3-9,12-13H,2,10-11,14H2,1H3,(H,22,24)
InChIKeyNNCNOMJLEVHBDY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.44
Rot. Bonds8

About N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide

N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 55807023) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
PubChem CID55807023
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C20H21N3O3/c1-2-25-10-11-26-14-15-6-5-7-16(12-15)22-20(24)19-13-21-17-8-3-4-9-18(17)23-19/h3-9,12-13H,2,10-11,14H2,1H3,(H,22,24)
InChIKeyNNCNOMJLEVHBDY-UHFFFAOYSA-N
XLogP3.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 55932677
N-[3-(2-ethoxyethoxymethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55806770
N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036692
1-benzyl-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55806857
2-(3-chlorophenyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55806862
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide (CID 55807023) is N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide is CCOCCOCc1cccc(NC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is NNCNOMJLEVHBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-25-10-11-26-14-15-6-5-7-16(12-15)22-20(24)19-13-21-17-8-3-4-9-18(17)23-19/h3-9,12-13H,2,10-11,14H2,1H3,(H,22,24).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 55807023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).