N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide

C25H23N3O2 — CID 9489163

IUPACN-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C25H23N3O2/c1-2-28(25(29)24-16-26-22-10-6-7-11-23(22)27-24)17-19-12-14-21(15-13-19)30-18-20-8-4-3-5-9-20/h3-16H,2,17-18H2,1H3
InChIKeyAUQJRHGYZJOCMM-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.87
Rot. Bonds7

About N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide

N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide (PubChem CID 9489163) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
PubChem CID9489163
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C25H23N3O2/c1-2-28(25(29)24-16-26-22-10-6-7-11-23(22)27-24)17-19-12-14-21(15-13-19)30-18-20-8-4-3-5-9-20/h3-16H,2,17-18H2,1H3
InChIKeyAUQJRHGYZJOCMM-UHFFFAOYSA-N
XLogP4.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-(2-amino-2-oxoethyl)-N-[(4-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide
CID 51125047
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 24513203
2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772652
N-benzyl-N-cyclohexylquinoxaline-2-carboxamide
CID 42776638
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42710801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide (CID 9489163) is N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide is CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is AUQJRHGYZJOCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-28(25(29)24-16-26-22-10-6-7-11-23(22)27-24)17-19-12-14-21(15-13-19)30-18-20-8-4-3-5-9-20/h3-16H,2,17-18H2,1H3.
What are the key properties of N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide?
N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 9489163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).