dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide

C20H23CuLi2N2O — CID 139263471

IUPACdilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
SMILESCC(C)N(C(=O)c1[c-]cccc1)C(C)C.[C-]#N.[Cu+].[Li+].[Li+].[c-]1ccccc1
InChIInChI=1S/C13H18NO.C6H5.CN.Cu.2Li/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12;1-2-4-6-5-3-1;1-2;;;/h5-8,10-11H,1-4H3;1-5H;;;;/q3*-1;3*+1
InChIKeyMMPBAZKWRAODKZ-UHFFFAOYSA-N
MW384.85 g/mol
LogP-1.67
Rot. Bonds3

About dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide

dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide (PubChem CID 139263471) has the molecular formula C20H23CuLi2N2O and a molecular weight of 384.85 g/mol. Its IUPAC name is dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide.

Molecular Properties

Compound Namedilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
PubChem CID139263471
Molecular FormulaC20H23CuLi2N2O
Molecular Weight384.85 g/mol
Exact Mass384.14
IUPAC Namedilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
SMILESCC(C)N(C(=O)c1[c-]cccc1)C(C)C.[C-]#N.[Cu+].[Li+].[Li+].[c-]1ccccc1
InChIInChI=1S/C13H18NO.C6H5.CN.Cu.2Li/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12;1-2-4-6-5-3-1;1-2;;;/h5-8,10-11H,1-4H3;1-5H;;;;/q3*-1;3*+1
InChIKeyMMPBAZKWRAODKZ-UHFFFAOYSA-N
XLogP-1.67
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium N,N-diethylbenzamide
CID 12872035
copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide
CID 134858453
dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
CID 139263470
5-[(Dimethylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 57640677
(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
CID 89194291
N-methyl-2-methylidene-N-propan-2-ylpent-3-enamide
CID 91530422
N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide
CID 123432083
3-methylidene-1-propan-2-yl-2H-pyridin-6-one
CID 123654467
2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide
CID 126538734
(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide
CID 142918916
5-[(Dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane
CID 143160769
ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
CID 143617273

Frequently Asked Questions

What is the IUPAC name of dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
The IUPAC name of dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide (CID 139263471) is dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide.
What is the SMILES notation for dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
The canonical SMILES for dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide is CC(C)N(C(=O)c1[c-]cccc1)C(C)C.[C-]#N.[Cu+].[Li+].[Li+].[c-]1ccccc1.
What is the InChIKey of dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
The InChIKey is MMPBAZKWRAODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO.C6H5.CN.Cu.2Li/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12;1-2-4-6-5-3-1;1-2;;;/h5-8,10-11H,1-4H3;1-5H;;;;/q3*-1;3*+1.
What are the key properties of dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide has a molecular weight of 384.85 g/mol, XLogP of -1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide is sourced from PubChem (CID 139263471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).