N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

C20H21N3O3 — CID 51232739

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-14(2)23-19-12-15(4-9-18(19)22-13)20(24)21-10-11-26-17-7-5-16(25-3)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyXZRZIEFFAGKITI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 51232739) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID51232739
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-14(2)23-19-12-15(4-9-18(19)22-13)20(24)21-10-11-26-17-7-5-16(25-3)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyXZRZIEFFAGKITI-UHFFFAOYSA-N
XLogP3.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.06
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-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795132
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 51232739) is N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is COc1ccc(OCCNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is XZRZIEFFAGKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-14(2)23-19-12-15(4-9-18(19)22-13)20(24)21-10-11-26-17-7-5-16(25-3)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 51232739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).