N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide

C26H33N3O4 — CID 10114926

IUPACN-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide
SMILESCCC1NC(=O)C(Cc2ccc(NC(=O)C(C)(C)C)cc2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H33N3O4/c1-7-19-23(17-10-13-21(32-5)22(15-17)33-6)28-20(24(30)29-19)14-16-8-11-18(12-9-16)27-25(31)26(2,3)4/h8-13,15,19-20H,7,14H2,1-6H3,(H,27,31)(H,29,30)
InChIKeyMYXQABNPESFDBH-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.00
Rot. Bonds7

About N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide

N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 10114926) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide
PubChem CID10114926
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide
SMILESCCC1NC(=O)C(Cc2ccc(NC(=O)C(C)(C)C)cc2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H33N3O4/c1-7-19-23(17-10-13-21(32-5)22(15-17)33-6)28-20(24(30)29-19)14-16-8-11-18(12-9-16)27-25(31)26(2,3)4/h8-13,15,19-20H,7,14H2,1-6H3,(H,27,31)(H,29,30)
InChIKeyMYXQABNPESFDBH-UHFFFAOYSA-N
XLogP4.00
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
CID 18623581
N-[4-[[5-ethyl-6-[3-methoxy-4-(trifluoromethoxy)phenyl]-3,4-dioxo-2,5-dihydropyridin-2-yl]methyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 151540696
[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]methyl]phenyl]urea
CID 91592016
[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea
CID 150756483
N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2,2-trifluoroacetamide
CID 18623361
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113013990
N-[4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]acetamide
CID 19357967
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 174367871
N-[4-[2-[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]ethyl]phenyl]acetamide
CID 19357917
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetyl chloride
CID 158765134
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide (CID 10114926) is N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide is CCC1NC(=O)C(Cc2ccc(NC(=O)C(C)(C)C)cc2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is MYXQABNPESFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-7-19-23(17-10-13-21(32-5)22(15-17)33-6)28-20(24(30)29-19)14-16-8-11-18(12-9-16)27-25(31)26(2,3)4/h8-13,15,19-20H,7,14H2,1-6H3,(H,27,31)(H,29,30).
What are the key properties of N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 451.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10114926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).