4-(dibenzoylamino)-2,5-diethoxybenzenediazonium

C24H22N3O4+ — CID 21118135

IUPAC4-(dibenzoylamino)-2,5-diethoxybenzenediazonium
SMILESCCOc1cc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c(OCC)cc1[N+]#N
InChIInChI=1S/C24H22N3O4/c1-3-30-21-16-20(22(31-4-2)15-19(21)26-25)27(23(28)17-11-7-5-8-12-17)24(29)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/q+1
InChIKeyBARMRYGUFVMSEB-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.46
Rot. Bonds7

About 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium

4-(dibenzoylamino)-2,5-diethoxybenzenediazonium (PubChem CID 21118135) has the molecular formula C24H22N3O4+ and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium.

Molecular Properties

Compound Name4-(dibenzoylamino)-2,5-diethoxybenzenediazonium
PubChem CID21118135
Molecular FormulaC24H22N3O4+
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-(dibenzoylamino)-2,5-diethoxybenzenediazonium
SMILESCCOc1cc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c(OCC)cc1[N+]#N
InChIInChI=1S/C24H22N3O4/c1-3-30-21-16-20(22(31-4-2)15-19(21)26-25)27(23(28)17-11-7-5-8-12-17)24(29)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/q+1
InChIKeyBARMRYGUFVMSEB-UHFFFAOYSA-N
XLogP5.46
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride
CID 133108940
4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium
CID 3343157
2,5-diethoxy-4-phenoxybenzenediazonium;hydrogen sulfate
CID 86032613
4-(benzylamino)-2,5-diethoxybenzenediazonium chloride
CID 21441178
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide
CID 141016144
benzamide;1,4-diethoxybenzene
CID 162120306
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
3-ethoxy-4-formylbenzoic acid
CID 21100742
bromobenzene;3-ethoxybenzoic acid
CID 174626248
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium?
The IUPAC name of 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium (CID 21118135) is 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium.
What is the SMILES notation for 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium?
The canonical SMILES for 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium is CCOc1cc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c(OCC)cc1[N+]#N.
What is the InChIKey of 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium?
The InChIKey is BARMRYGUFVMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3O4/c1-3-30-21-16-20(22(31-4-2)15-19(21)26-25)27(23(28)17-11-7-5-8-12-17)24(29)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/q+1.
What are the key properties of 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium?
4-(dibenzoylamino)-2,5-diethoxybenzenediazonium has a molecular weight of 416.46 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium is sourced from PubChem (CID 21118135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).