3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide

C15H23N3O3 — CID 63573326

IUPAC3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
SMILESCN(CCOc1cccc(C(=O)NN)c1)C1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-18(13-5-8-20-9-6-13)7-10-21-14-4-2-3-12(11-14)15(19)17-16/h2-4,11,13H,5-10,16H2,1H3,(H,17,19)
InChIKeyARAHJCWIGQLPEA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.78
Rot. Bonds6

About 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide

3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide (PubChem CID 63573326) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
PubChem CID63573326
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
SMILESCN(CCOc1cccc(C(=O)NN)c1)C1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-18(13-5-8-20-9-6-13)7-10-21-14-4-2-3-12(11-14)15(19)17-16/h2-4,11,13H,5-10,16H2,1H3,(H,17,19)
InChIKeyARAHJCWIGQLPEA-UHFFFAOYSA-N
XLogP0.78
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
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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Related Compounds

2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
CID 119875630
3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 63657559
3-[2-[methyl(oxolan-3-yl)amino]ethoxy]benzenecarbothioamide
CID 82737714
2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
CID 119875609
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119875616
4-[2-[methyl(oxan-4-yl)amino]ethoxy]benzoic acid
CID 43611392
3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
3-pentoxybenzohydrazide
CID 54793157

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide (CID 63573326) is 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide is CN(CCOc1cccc(C(=O)NN)c1)C1CCOCC1.
What is the InChIKey of 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide?
The InChIKey is ARAHJCWIGQLPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(13-5-8-20-9-6-13)7-10-21-14-4-2-3-12(11-14)15(19)17-16/h2-4,11,13H,5-10,16H2,1H3,(H,17,19).
What are the key properties of 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide?
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide has a molecular weight of 293.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63573326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).