3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide

C13H19N3O2 — CID 63569378

IUPAC3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
SMILESCC1CN(Cc2cccc(C(=O)NN)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-10-8-16(5-6-18-10)9-11-3-2-4-12(7-11)13(17)15-14/h2-4,7,10H,5-6,8-9,14H2,1H3,(H,15,17)
InChIKeyCJEZQQQQEWLOQG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.51
Rot. Bonds3

About 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide

3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide (PubChem CID 63569378) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
PubChem CID63569378
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
SMILESCC1CN(Cc2cccc(C(=O)NN)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-10-8-16(5-6-18-10)9-11-3-2-4-12(7-11)13(17)15-14/h2-4,7,10H,5-6,8-9,14H2,1H3,(H,15,17)
InChIKeyCJEZQQQQEWLOQG-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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

3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552754
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
N-methyl-4-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-3-nitrobenzamide
CID 47982185

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide (CID 63569378) is 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide is CC1CN(Cc2cccc(C(=O)NN)c2)CCO1.
What is the InChIKey of 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide?
The InChIKey is CJEZQQQQEWLOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-16(5-6-18-10)9-11-3-2-4-12(7-11)13(17)15-14/h2-4,7,10H,5-6,8-9,14H2,1H3,(H,15,17).
What are the key properties of 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide?
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide is sourced from PubChem (CID 63569378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).