3-azido-4-hydroxy-N-methoxy-N-methylbenzamide

C9H10N4O3 — CID 155204410

IUPAC3-azido-4-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(O)c(N=[N+]=[N-])c1
InChIInChI=1S/C9H10N4O3/c1-13(16-2)9(15)6-3-4-8(14)7(5-6)11-12-10/h3-5,14H,1-2H3
InChIKeyYXCZRBKHFCEWHB-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.97
Rot. Bonds3

About 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide

3-azido-4-hydroxy-N-methoxy-N-methylbenzamide (PubChem CID 155204410) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-azido-4-hydroxy-N-methoxy-N-methylbenzamide
PubChem CID155204410
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name3-azido-4-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(O)c(N=[N+]=[N-])c1
InChIInChI=1S/C9H10N4O3/c1-13(16-2)9(15)6-3-4-8(14)7(5-6)11-12-10/h3-5,14H,1-2H3
InChIKeyYXCZRBKHFCEWHB-UHFFFAOYSA-N
XLogP1.97
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 3-azido-4-hydroxybenzoate
CID 62706001
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
methane;methyl 3-azido-4-methylbenzoate
CID 167548243
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
methyl 3-azido-4-chlorobenzoate
CID 71512911
4-isocyano-N-methoxy-N-methylbenzamide
CID 59354859
4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide
CID 86639069
methyl 4-(acetamidomethyl)-3-azidobenzoate
CID 123335878
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315
N-methoxy-N-methyl-1-benzofuran-5-carboxamide
CID 59186071
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919

Frequently Asked Questions

What is the IUPAC name of 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide?
The IUPAC name of 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide (CID 155204410) is 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(O)c(N=[N+]=[N-])c1.
What is the InChIKey of 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide?
The InChIKey is YXCZRBKHFCEWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-13(16-2)9(15)6-3-4-8(14)7(5-6)11-12-10/h3-5,14H,1-2H3.
What are the key properties of 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide?
3-azido-4-hydroxy-N-methoxy-N-methylbenzamide has a molecular weight of 222.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-hydroxy-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 155204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).