1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one

C22H32N2O4 — CID 59739700

IUPAC1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
SMILESCCOC1=NC(C(C)C)C(OCC)=NC1C(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C22H32N2O4/c1-6-27-21-19(15(3)4)23-22(28-7-2)20(24-21)18(25)10-8-9-16-11-13-17(26-5)14-12-16/h11-15,19-20H,6-10H2,1-5H3
InChIKeyIQQMAMVDRYMXQW-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.86
Rot. Bonds9

About 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one

1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one (PubChem CID 59739700) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
PubChem CID59739700
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
SMILESCCOC1=NC(C(C)C)C(OCC)=NC1C(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C22H32N2O4/c1-6-27-21-19(15(3)4)23-22(28-7-2)20(24-21)18(25)10-8-9-16-11-13-17(26-5)14-12-16/h11-15,19-20H,6-10H2,1-5H3
InChIKeyIQQMAMVDRYMXQW-UHFFFAOYSA-N
XLogP3.86
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one with MolForge

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Related Compounds

1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
5-(4-methoxyphenyl)pentanamide
CID 134389506
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate
CID 162377120
5-(4-methoxyphenyl)pentanoyl chloride
CID 21497235
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one (CID 59739700) is 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one is CCOC1=NC(C(C)C)C(OCC)=NC1C(=O)CCCc1ccc(OC)cc1.
What is the InChIKey of 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one?
The InChIKey is IQQMAMVDRYMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-6-27-21-19(15(3)4)23-22(28-7-2)20(24-21)18(25)10-8-9-16-11-13-17(26-5)14-12-16/h11-15,19-20H,6-10H2,1-5H3.
What are the key properties of 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one?
1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one has a molecular weight of 388.51 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 59739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).