3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide

C14H23N3O3 — CID 63583247

IUPAC3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
SMILESCCCN(CCO)CCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H23N3O3/c1-2-6-17(7-9-18)8-10-20-13-5-3-4-12(11-13)14(19)16-15/h3-5,11,18H,2,6-10,15H2,1H3,(H,16,19)
InChIKeyZJSAZILXNSLHAC-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.37
Rot. Bonds9

About 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide

3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide (PubChem CID 63583247) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
PubChem CID63583247
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
SMILESCCCN(CCO)CCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H23N3O3/c1-2-6-17(7-9-18)8-10-20-13-5-3-4-12(11-13)14(19)16-15/h3-5,11,18H,2,6-10,15H2,1H3,(H,16,19)
InChIKeyZJSAZILXNSLHAC-UHFFFAOYSA-N
XLogP0.37
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.37
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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Related Compounds

3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
3-pentoxybenzohydrazide
CID 54793157
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572520
3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
CID 63583349
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide (CID 63583247) is 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide is CCCN(CCO)CCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide?
The InChIKey is ZJSAZILXNSLHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-6-17(7-9-18)8-10-20-13-5-3-4-12(11-13)14(19)16-15/h3-5,11,18H,2,6-10,15H2,1H3,(H,16,19).
What are the key properties of 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide?
3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide has a molecular weight of 281.36 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63583247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).