ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium

C30H47NO4Y-2 — CID 157495390

IUPACethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium
SMILESC.CC.CC.CC.CC(=O)Nc1ccc(O)cc1.[CH2-]Cc1ccc(O)cc1.[CH2-]c1ccc(O)cc1.[Y]
InChIInChI=1S/C8H9NO2.C8H9O.C7H7O.3C2H6.CH4.Y/c1-6(10)9-7-2-4-8(11)5-3-7;1-2-7-3-5-8(9)6-4-7;1-6-2-4-7(8)5-3-6;3*1-2;;/h2-5,11H,1H3,(H,9,10);3-6,9H,1-2H2;2-5,8H,1H2;3*1-2H3;1H4;/q;2*-1;;;;;
InChIKeyUMMKEZUGDOKVCC-UHFFFAOYSA-N
MW574.62 g/mol
LogP8.41
Rot. Bonds2

About ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium

ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium (PubChem CID 157495390) has the molecular formula C30H47NO4Y-2 and a molecular weight of 574.62 g/mol. Its IUPAC name is ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium.

Molecular Properties

Compound Nameethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium
PubChem CID157495390
Molecular FormulaC30H47NO4Y-2
Molecular Weight574.62 g/mol
Exact Mass574.26
IUPAC Nameethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium
SMILESC.CC.CC.CC.CC(=O)Nc1ccc(O)cc1.[CH2-]Cc1ccc(O)cc1.[CH2-]c1ccc(O)cc1.[Y]
InChIInChI=1S/C8H9NO2.C8H9O.C7H7O.3C2H6.CH4.Y/c1-6(10)9-7-2-4-8(11)5-3-7;1-2-7-3-5-8(9)6-4-7;1-6-2-4-7(8)5-3-6;3*1-2;;/h2-5,11H,1H3,(H,9,10);3-6,9H,1-2H2;2-5,8H,1H2;3*1-2H3;1H4;/q;2*-1;;;;;
InChIKeyUMMKEZUGDOKVCC-UHFFFAOYSA-N
XLogP8.41
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.62
LogP ≤ 58.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 97236104
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium?
The IUPAC name of ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium (CID 157495390) is ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium.
What is the SMILES notation for ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium?
The canonical SMILES for ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium is C.CC.CC.CC.CC(=O)Nc1ccc(O)cc1.[CH2-]Cc1ccc(O)cc1.[CH2-]c1ccc(O)cc1.[Y].
What is the InChIKey of ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium?
The InChIKey is UMMKEZUGDOKVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C8H9O.C7H7O.3C2H6.CH4.Y/c1-6(10)9-7-2-4-8(11)5-3-7;1-2-7-3-5-8(9)6-4-7;1-6-2-4-7(8)5-3-6;3*1-2;;/h2-5,11H,1H3,(H,9,10);3-6,9H,1-2H2;2-5,8H,1H2;3*1-2H3;1H4;/q;2*-1;;;;;.
What are the key properties of ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium?
ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium has a molecular weight of 574.62 g/mol, XLogP of 8.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium is sourced from PubChem (CID 157495390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).