sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide

C37H57N2NaO4 — CID 159047790

IUPACsodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide
SMILESC.CCCCCCCCC(=O)Nc1ccccc1C(=O)CC.CCCCCCCCc1[nH]c2ccccc2c(=O)c1C.[Na+].[OH-]
InChIInChI=1S/C18H27NO2.C18H25NO.CH4.Na.H2O/c1-3-5-6-7-8-9-14-18(21)19-16-13-11-10-12-15(16)17(20)4-2;1-3-4-5-6-7-8-12-16-14(2)18(20)15-11-9-10-13-17(15)19-16;;;/h10-13H,3-9,14H2,1-2H3,(H,19,21);9-11,13H,3-8,12H2,1-2H3,(H,19,20);1H4;;1H2/q;;;+1;/p-1
InChIKeyJWWIVNAIBNMOOR-UHFFFAOYSA-M
MW616.86 g/mol
LogP7.17
Rot. Bonds17

About sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide

sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide (PubChem CID 159047790) has the molecular formula C37H57N2NaO4 and a molecular weight of 616.86 g/mol. Its IUPAC name is sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide.

Molecular Properties

Compound Namesodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide
PubChem CID159047790
Molecular FormulaC37H57N2NaO4
Molecular Weight616.86 g/mol
Exact Mass616.42
IUPAC Namesodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide
SMILESC.CCCCCCCCC(=O)Nc1ccccc1C(=O)CC.CCCCCCCCc1[nH]c2ccccc2c(=O)c1C.[Na+].[OH-]
InChIInChI=1S/C18H27NO2.C18H25NO.CH4.Na.H2O/c1-3-5-6-7-8-9-14-18(21)19-16-13-11-10-12-15(16)17(20)4-2;1-3-4-5-6-7-8-12-16-14(2)18(20)15-11-9-10-13-17(15)19-16;;;/h10-13H,3-9,14H2,1-2H3,(H,19,21);9-11,13H,3-8,12H2,1-2H3,(H,19,20);1H4;;1H2/q;;;+1;/p-1
InChIKeyJWWIVNAIBNMOOR-UHFFFAOYSA-M
XLogP7.17
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.86
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide with MolForge

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Related Compounds

2-(hexacosanoylamino)benzoic acid
CID 123304158
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
N-naphthalen-1-yldodecanamide
CID 588517
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
2-[(heptylamino)methyl]-3-methyl-1H-quinolin-4-one
CID 59526954
6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
CID 11576849
7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
CID 11634846
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
CID 54704146
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-(octadec-9-enoylamino)benzoic acid
CID 54292093

Frequently Asked Questions

What is the IUPAC name of sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide?
The IUPAC name of sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide (CID 159047790) is sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide.
What is the SMILES notation for sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide?
The canonical SMILES for sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide is C.CCCCCCCCC(=O)Nc1ccccc1C(=O)CC.CCCCCCCCc1[nH]c2ccccc2c(=O)c1C.[Na+].[OH-].
What is the InChIKey of sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide?
The InChIKey is JWWIVNAIBNMOOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H27NO2.C18H25NO.CH4.Na.H2O/c1-3-5-6-7-8-9-14-18(21)19-16-13-11-10-12-15(16)17(20)4-2;1-3-4-5-6-7-8-12-16-14(2)18(20)15-11-9-10-13-17(15)19-16;;;/h10-13H,3-9,14H2,1-2H3,(H,19,21);9-11,13H,3-8,12H2,1-2H3,(H,19,20);1H4;;1H2/q;;;+1;/p-1.
What are the key properties of sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide?
sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide has a molecular weight of 616.86 g/mol, XLogP of 7.17, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide is sourced from PubChem (CID 159047790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).