carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)

C13H26N2O2Y2-2 — CID 59935162

IUPACcarbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)
SMILESC[C-](C)CNC(=O)CC(=O)NCC(C)(C)C.[CH3-].[Y].[Y]
InChIInChI=1S/C12H23N2O2.CH3.2Y/c1-9(2)7-13-10(15)6-11(16)14-8-12(3,4)5;;;/h6-8H2,1-5H3,(H,13,15)(H,14,16);1H3;;/q2*-1;;
InChIKeyKMZZVXSLSWHPEU-UHFFFAOYSA-N
MW420.18 g/mol
LogP1.71
Rot. Bonds5

About carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)

carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium) (PubChem CID 59935162) has the molecular formula C13H26N2O2Y2-2 and a molecular weight of 420.18 g/mol. Its IUPAC name is carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium).

Molecular Properties

Compound Namecarbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)
PubChem CID59935162
Molecular FormulaC13H26N2O2Y2-2
Molecular Weight420.18 g/mol
Exact Mass420.01
IUPAC Namecarbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)
SMILESC[C-](C)CNC(=O)CC(=O)NCC(C)(C)C.[CH3-].[Y].[Y]
InChIInChI=1S/C12H23N2O2.CH3.2Y/c1-9(2)7-13-10(15)6-11(16)14-8-12(3,4)5;;;/h6-8H2,1-5H3,(H,13,15)(H,14,16);1H3;;/q2*-1;;
InChIKeyKMZZVXSLSWHPEU-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
Butanamide, N-(3-(butylamino)-3-oxopropyl)-
CID 3067806
Propanamide, N-(3-(dibutylamino)-3-oxopropyl)-2,2-dimethyl-
CID 3067808
3-amino-N-ethyl-2,2-dimethylpropanamide
CID 61826263
3-(3-Azaniumylpropanoylamino)propyl-dimethyl-azanium
CID 131839627
N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 51096892
N-[3-(2,2-dimethylpropanoylamino)-2,2-dimethylpropyl]-2,2-dimethylpropanamide
CID 3435715
N-methyl-3-[N-methyl-3-(methylamino)propanamido]propanamide hydrochloride
CID 155822781
N-(2-(dimethylcarbamoyl)ethyl)-N-methyl-3-(methylamino)propanamide
CID 155943543
3-(3-Azaniumylpropanoylamino)propyl-dimethylazanium
CID 42149132
N,N'-Dimethylisopropylmalonamide
CID 132234
N,N'-diethylpropanediamide
CID 4600245

Frequently Asked Questions

What is the IUPAC name of carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)?
The IUPAC name of carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium) (CID 59935162) is carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium).
What is the SMILES notation for carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)?
The canonical SMILES for carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium) is C[C-](C)CNC(=O)CC(=O)NCC(C)(C)C.[CH3-].[Y].[Y].
What is the InChIKey of carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)?
The InChIKey is KMZZVXSLSWHPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2O2.CH3.2Y/c1-9(2)7-13-10(15)6-11(16)14-8-12(3,4)5;;;/h6-8H2,1-5H3,(H,13,15)(H,14,16);1H3;;/q2*-1;;.
What are the key properties of carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)?
carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium) has a molecular weight of 420.18 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium) is sourced from PubChem (CID 59935162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).