N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide

C11H15N3O4 — CID 10658517

IUPACN-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(=O)NN
InChIInChI=1S/C11H15N3O4/c1-17-7-4-3-5-8(18-2)10(7)11(16)13-6-9(15)14-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCNEKEGCBFMSVFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.58
Rot. Bonds5

About N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide

N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide (PubChem CID 10658517) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide
PubChem CID10658517
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(=O)NN
InChIInChI=1S/C11H15N3O4/c1-17-7-4-3-5-8(18-2)10(7)11(16)13-6-9(15)14-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCNEKEGCBFMSVFN-UHFFFAOYSA-N
XLogP-0.58
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide (CID 10658517) is N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(=O)NN.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide?
The InChIKey is CNEKEGCBFMSVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-7-4-3-5-8(18-2)10(7)11(16)13-6-9(15)14-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide?
N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide has a molecular weight of 253.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 10658517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).