3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one

C22H32N2O2 — CID 139583595

IUPAC3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one
SMILESCc1nc(Cc2ccc(O)cc2)c(=O)[nH]c1CCCCCCCC(C)C
InChIInChI=1S/C22H32N2O2/c1-16(2)9-7-5-4-6-8-10-20-17(3)23-21(22(26)24-20)15-18-11-13-19(25)14-12-18/h11-14,16,25H,4-10,15H2,1-3H3,(H,24,26)
InChIKeyVPRZXCNKOANCBI-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.91
Rot. Bonds10

About 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one

3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one (PubChem CID 139583595) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one
PubChem CID139583595
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one
SMILESCc1nc(Cc2ccc(O)cc2)c(=O)[nH]c1CCCCCCCC(C)C
InChIInChI=1S/C22H32N2O2/c1-16(2)9-7-5-4-6-8-10-20-17(3)23-21(22(26)24-20)15-18-11-13-19(25)14-12-18/h11-14,16,25H,4-10,15H2,1-3H3,(H,24,26)
InChIKeyVPRZXCNKOANCBI-UHFFFAOYSA-N
XLogP4.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-Hydroxybenzyl)cyclohexyl]-2-phenylacetamide
CID 567055
(2S)-2-amino-N-[4-[5-[3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]butyl]-3-(4-hydroxyphenyl)propanamide
CID 44419737
(2S)-2-amino-N-[4-[6-[3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propanamide
CID 44419826
2-amino-N-[4-[5-[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]butyl]-3-(4-hydroxyphenyl)propanamide;dihydrochloride
CID 90664275
2-amino-N-[3-[5-[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]propyl]-3-(4-hydroxyphenyl)propanamide;dihydrochloride
CID 90664526
2-amino-N-[2-[5-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]ethyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]ethyl]-3-(4-hydroxyphenyl)propanamide;dihydrochloride
CID 90664538
Thalassotalamide B
CID 127049818
N-[2-(4-hydroxyphenyl)ethyl]-3-methyldodecanamide
CID 16091484
Aureusamine A
CID 49838500
N-[1-(4-hydroxybenzyl)cyclohexyl]propanamide
CID 1502362
N-dodecyl-3-(4-hydroxyphenyl)propanamide
CID 16091499
Lumizinone A
CID 132599737

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one (CID 139583595) is 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one is Cc1nc(Cc2ccc(O)cc2)c(=O)[nH]c1CCCCCCCC(C)C.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one?
The InChIKey is VPRZXCNKOANCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16(2)9-7-5-4-6-8-10-20-17(3)23-21(22(26)24-20)15-18-11-13-19(25)14-12-18/h11-14,16,25H,4-10,15H2,1-3H3,(H,24,26).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one?
3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one has a molecular weight of 356.51 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-5-methyl-6-(8-methylnonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 139583595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).