ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium

C18H28N2O4Y — CID 155692910

IUPACethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium
SMILESCCCC(C(=O)Nc1c(C)cc(OC)cc1C(=O)OCC)N(C)C.[Y]
InChIInChI=1S/C18H28N2O4.Y/c1-7-9-15(20(4)5)17(21)19-16-12(3)10-13(23-6)11-14(16)18(22)24-8-2;/h10-11,15H,7-9H2,1-6H3,(H,19,21);
InChIKeyOQKKAZUYTAKMGA-UHFFFAOYSA-N
MW425.34 g/mol
LogP2.85
Rot. Bonds8

About ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium

ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium (PubChem CID 155692910) has the molecular formula C18H28N2O4Y and a molecular weight of 425.34 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium
PubChem CID155692910
Molecular FormulaC18H28N2O4Y
Molecular Weight425.34 g/mol
Exact Mass425.11
IUPAC Nameethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium
SMILESCCCC(C(=O)Nc1c(C)cc(OC)cc1C(=O)OCC)N(C)C.[Y]
InChIInChI=1S/C18H28N2O4.Y/c1-7-9-15(20(4)5)17(21)19-16-12(3)10-13(23-6)11-14(16)18(22)24-8-2;/h10-11,15H,7-9H2,1-6H3,(H,19,21);
InChIKeyOQKKAZUYTAKMGA-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chloro-2-ethoxycarbonyl-6-methylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidoazanium;yttrium
CID 155692841
[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidoazanium
CID 155692450
methyl 2-[2-(dimethylamino)butanoylamino]-5-fluoro-3-methylbenzoate
CID 155692975
ethyl 5-methoxy-3-methyl-2-[2-[1-(2-oxo-2-phenylmethoxyethyl)azepan-1-ium-1-yl]pentanoylamino]benzoate
CID 170269780
triethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]azanium
CID 160866649
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
ethyl 2-[2-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]pentanoylamino]-3,5-dimethylbenzoate
CID 155115266
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
ethyl 5-methoxy-3-methyl-2-[[1-(1-methylpiperidin-1-ium-1-yl)cyclopropanecarbonyl]amino]benzoate
CID 155693045
[1-(2-ethoxycarbonyl-4,6-dimethylanilino)-1-oxobutan-2-yl]-dimethyl-sulfidoazanium
CID 155692829
[1-[(2-ethoxycarbonyl-4-methoxy-6-methylphenyl)carbamoyl]cyclobutyl]-diethyl-ethylazanium
CID 162096456
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium
CID 155693210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium?
The IUPAC name of ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium (CID 155692910) is ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium?
The canonical SMILES for ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium is CCCC(C(=O)Nc1c(C)cc(OC)cc1C(=O)OCC)N(C)C.[Y].
What is the InChIKey of ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium?
The InChIKey is OQKKAZUYTAKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.Y/c1-7-9-15(20(4)5)17(21)19-16-12(3)10-13(23-6)11-14(16)18(22)24-8-2;/h10-11,15H,7-9H2,1-6H3,(H,19,21);.
What are the key properties of ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium?
ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium has a molecular weight of 425.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium is sourced from PubChem (CID 155692910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).