copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide

C12H16CuNO — CID 134858453

IUPACcopper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide
SMILESCCN(CC)C(=O)c1[c-]cc(C)cc1.[Cu+]
InChIInChI=1S/C12H16NO.Cu/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11;/h6-8H,4-5H2,1-3H3;/q-1;+1
InChIKeyPWLMQLNABWIBQH-UHFFFAOYSA-N
MW253.81 g/mol
LogP2.27
Rot. Bonds3

About copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide

copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide (PubChem CID 134858453) has the molecular formula C12H16CuNO and a molecular weight of 253.81 g/mol. Its IUPAC name is copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide.

Molecular Properties

Compound Namecopper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide
PubChem CID134858453
Molecular FormulaC12H16CuNO
Molecular Weight253.81 g/mol
Exact Mass253.05
IUPAC Namecopper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide
SMILESCCN(CC)C(=O)c1[c-]cc(C)cc1.[Cu+]
InChIInChI=1S/C12H16NO.Cu/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11;/h6-8H,4-5H2,1-3H3;/q-1;+1
InChIKeyPWLMQLNABWIBQH-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.81
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2,6-dideuterio-N,N-diethyl-4-methylbenzamide
CID 24798842
N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
[2-(diethylcarbamoyl)-4-methylphenyl]boronic acid
CID 15772804
N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391105
lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide
CID 10402707
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84556482
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
CID 174412487
CID 174412487
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702

Frequently Asked Questions

What is the IUPAC name of copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide?
The IUPAC name of copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide (CID 134858453) is copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide.
What is the SMILES notation for copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide?
The canonical SMILES for copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide is CCN(CC)C(=O)c1[c-]cc(C)cc1.[Cu+].
What is the InChIKey of copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide?
The InChIKey is PWLMQLNABWIBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO.Cu/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11;/h6-8H,4-5H2,1-3H3;/q-1;+1.
What are the key properties of copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide?
copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide has a molecular weight of 253.81 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide is sourced from PubChem (CID 134858453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).