copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)

C36H40CuN4O4 — CID 139084118

IUPACcopper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)
SMILESCO/C(=N\c1ccc(C)cc1C)NC(=O)c1ccc(C)cc1.CO/C(=N\c1ccc(C)cc1C)NC(=O)c1ccc(C)cc1.[Cu]
InChIInChI=1S/2C18H20N2O2.Cu/c2*1-12-5-8-15(9-6-12)17(21)20-18(22-4)19-16-10-7-13(2)11-14(16)3;/h2*5-11H,1-4H3,(H,19,20,21);
InChIKeyFAGZNLGGQFTTIM-UHFFFAOYSA-N
MW656.29 g/mol
LogP7.35
Rot. Bonds4

About copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)

copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate) (PubChem CID 139084118) has the molecular formula C36H40CuN4O4 and a molecular weight of 656.29 g/mol. Its IUPAC name is copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate).

Molecular Properties

Compound Namecopper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)
PubChem CID139084118
Molecular FormulaC36H40CuN4O4
Molecular Weight656.29 g/mol
Exact Mass655.23
IUPAC Namecopper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)
SMILESCO/C(=N\c1ccc(C)cc1C)NC(=O)c1ccc(C)cc1.CO/C(=N\c1ccc(C)cc1C)NC(=O)c1ccc(C)cc1.[Cu]
InChIInChI=1S/2C18H20N2O2.Cu/c2*1-12-5-8-15(9-6-12)17(21)20-18(22-4)19-16-10-7-13(2)11-14(16)3;/h2*5-11H,1-4H3,(H,19,20,21);
InChIKeyFAGZNLGGQFTTIM-UHFFFAOYSA-N
XLogP7.35
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.29
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
(4-methylbenzoyl)carbamic acid
CID 89120559
carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)
CID 45049466
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135474620
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 1338111
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189
ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 7263415

Frequently Asked Questions

What is the IUPAC name of copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)?
The IUPAC name of copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate) (CID 139084118) is copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate).
What is the SMILES notation for copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)?
The canonical SMILES for copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate) is CO/C(=N\c1ccc(C)cc1C)NC(=O)c1ccc(C)cc1.CO/C(=N\c1ccc(C)cc1C)NC(=O)c1ccc(C)cc1.[Cu].
What is the InChIKey of copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)?
The InChIKey is FAGZNLGGQFTTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20N2O2.Cu/c2*1-12-5-8-15(9-6-12)17(21)20-18(22-4)19-16-10-7-13(2)11-14(16)3;/h2*5-11H,1-4H3,(H,19,20,21);.
What are the key properties of copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)?
copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate) has a molecular weight of 656.29 g/mol, XLogP of 7.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate) is sourced from PubChem (CID 139084118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).