ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium

C13H29N2O2Y- — CID 154671877

IUPACethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium
SMILESCC.COCCCCCCCCNC(=O)C[NH-].[Y]
InChIInChI=1S/C11H23N2O2.C2H6.Y/c1-15-9-7-5-3-2-4-6-8-13-11(14)10-12;1-2;/h12H,2-10H2,1H3,(H,13,14);1-2H3;/q-1;;
InChIKeyGTRMIWPMDRAGDV-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.17
Rot. Bonds10

About ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium

ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium (PubChem CID 154671877) has the molecular formula C13H29N2O2Y- and a molecular weight of 334.29 g/mol. Its IUPAC name is ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium.

Molecular Properties

Compound Nameethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium
PubChem CID154671877
Molecular FormulaC13H29N2O2Y-
Molecular Weight334.29 g/mol
Exact Mass334.13
IUPAC Nameethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium
SMILESCC.COCCCCCCCCNC(=O)C[NH-].[Y]
InChIInChI=1S/C11H23N2O2.C2H6.Y/c1-15-9-7-5-3-2-4-6-8-13-11(14)10-12;1-2;/h12H,2-10H2,1H3,(H,13,14);1-2H3;/q-1;;
InChIKeyGTRMIWPMDRAGDV-UHFFFAOYSA-N
XLogP3.17
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 103601588
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
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5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
CID 15499688
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462
N'-(3-methoxypropyl)decanediamide
CID 89083408

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium?
The IUPAC name of ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium (CID 154671877) is ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium.
What is the SMILES notation for ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium?
The canonical SMILES for ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium is CC.COCCCCCCCCNC(=O)C[NH-].[Y].
What is the InChIKey of ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium?
The InChIKey is GTRMIWPMDRAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O2.C2H6.Y/c1-15-9-7-5-3-2-4-6-8-13-11(14)10-12;1-2;/h12H,2-10H2,1H3,(H,13,14);1-2H3;/q-1;;.
What are the key properties of ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium?
ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium has a molecular weight of 334.29 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium is sourced from PubChem (CID 154671877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).