N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide

C13H19N3O3 — CID 62509083

IUPACN-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCC2COCCO2)c1
InChIInChI=1S/C13H19N3O3/c1-9-2-3-12(16-14)11(6-9)13(17)15-7-10-8-18-4-5-19-10/h2-3,6,10,16H,4-5,7-8,14H2,1H3,(H,15,17)
InChIKeyDKJAZRPTLBAPEG-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.43
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide

N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 62509083) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID62509083
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCC2COCCO2)c1
InChIInChI=1S/C13H19N3O3/c1-9-2-3-12(16-14)11(6-9)13(17)15-7-10-8-18-4-5-19-10/h2-3,6,10,16H,4-5,7-8,14H2,1H3,(H,15,17)
InChIKeyDKJAZRPTLBAPEG-UHFFFAOYSA-N
XLogP0.43
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62510212
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 61102161
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 71938305
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 63686870
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509764

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide (CID 62509083) is N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)NCC2COCCO2)c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is DKJAZRPTLBAPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-2-3-12(16-14)11(6-9)13(17)15-7-10-8-18-4-5-19-10/h2-3,6,10,16H,4-5,7-8,14H2,1H3,(H,15,17).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide?
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).