N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide

C15H23BN2O4 — CID 90409200

IUPACN-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
SMILESCOCN(N)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H23BN2O4/c1-14(2)15(3,4)22-16(21-14)12-8-6-7-11(9-12)13(19)18(17)10-20-5/h6-9H,10,17H2,1-5H3
InChIKeyARQGKXZWFXBMMA-UHFFFAOYSA-N
MW306.17 g/mol
LogP0.91
Rot. Bonds4

About N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide

N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide (PubChem CID 90409200) has the molecular formula C15H23BN2O4 and a molecular weight of 306.17 g/mol. Its IUPAC name is N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide.

Molecular Properties

Compound NameN-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
PubChem CID90409200
Molecular FormulaC15H23BN2O4
Molecular Weight306.17 g/mol
Exact Mass306.18
IUPAC NameN-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
SMILESCOCN(N)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H23BN2O4/c1-14(2)15(3,4)22-16(21-14)12-8-6-7-11(9-12)13(19)18(17)10-20-5/h6-9H,10,17H2,1-5H3
InChIKeyARQGKXZWFXBMMA-UHFFFAOYSA-N
XLogP0.91
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide?
The IUPAC name of N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide (CID 90409200) is N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide.
What is the SMILES notation for N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide?
The canonical SMILES for N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide is COCN(N)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide?
The InChIKey is ARQGKXZWFXBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O4/c1-14(2)15(3,4)22-16(21-14)12-8-6-7-11(9-12)13(19)18(17)10-20-5/h6-9H,10,17H2,1-5H3.
What are the key properties of N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide?
N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide has a molecular weight of 306.17 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide is sourced from PubChem (CID 90409200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).