3,4-diethoxybenzoyl azide

C11H13N3O3 — CID 43307138

IUPAC3,4-diethoxybenzoyl azide
SMILESCCOc1ccc(C(=O)N=[N+]=[N-])cc1OCC
InChIInChI=1S/C11H13N3O3/c1-3-16-9-6-5-8(11(15)13-14-12)7-10(9)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyCKFCYUWFHXJHSU-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.93
Rot. Bonds5

About 3,4-diethoxybenzoyl azide

3,4-diethoxybenzoyl azide (PubChem CID 43307138) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3,4-diethoxybenzoyl azide.

Molecular Properties

Compound Name3,4-diethoxybenzoyl azide
PubChem CID43307138
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3,4-diethoxybenzoyl azide
SMILESCCOc1ccc(C(=O)N=[N+]=[N-])cc1OCC
InChIInChI=1S/C11H13N3O3/c1-3-16-9-6-5-8(11(15)13-14-12)7-10(9)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyCKFCYUWFHXJHSU-UHFFFAOYSA-N
XLogP2.93
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

bis(3,4-diethoxyphenyl)methanone
CID 135325793
4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide
CID 122206960
ethyl 3,4-diethoxybenzoate
CID 586407
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
3-ethoxy-4-methoxybenzoate
CID 7020473
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
2-dimethylsilyl-3-ethoxybenzoyl azide
CID 149163106

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxybenzoyl azide?
The IUPAC name of 3,4-diethoxybenzoyl azide (CID 43307138) is 3,4-diethoxybenzoyl azide.
What is the SMILES notation for 3,4-diethoxybenzoyl azide?
The canonical SMILES for 3,4-diethoxybenzoyl azide is CCOc1ccc(C(=O)N=[N+]=[N-])cc1OCC.
What is the InChIKey of 3,4-diethoxybenzoyl azide?
The InChIKey is CKFCYUWFHXJHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-16-9-6-5-8(11(15)13-14-12)7-10(9)17-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,4-diethoxybenzoyl azide?
3,4-diethoxybenzoyl azide has a molecular weight of 235.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxybenzoyl azide is sourced from PubChem (CID 43307138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).