4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide

C13H19N3O2 — CID 174900728

IUPAC4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide
SMILESCN1CCOC(Cc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-7-18-12(9-16)8-10-2-4-11(5-3-10)13(17)15-14/h2-5,12H,6-9,14H2,1H3,(H,15,17)
InChIKeyQUGFFWVFTQLNJF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds3

About 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide

4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide (PubChem CID 174900728) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide
PubChem CID174900728
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide
SMILESCN1CCOC(Cc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-7-18-12(9-16)8-10-2-4-11(5-3-10)13(17)15-14/h2-5,12H,6-9,14H2,1H3,(H,15,17)
InChIKeyQUGFFWVFTQLNJF-UHFFFAOYSA-N
XLogP0.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584705
4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
CID 174900344
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 95271990

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide (CID 174900728) is 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide is CN1CCOC(Cc2ccc(C(=O)NN)cc2)C1.
What is the InChIKey of 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide?
The InChIKey is QUGFFWVFTQLNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-6-7-18-12(9-16)8-10-2-4-11(5-3-10)13(17)15-14/h2-5,12H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide?
4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 174900728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).