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

C13H21N3O4 — CID 63573041

IUPAC3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN(CCO)CCO)c1
InChIInChI=1S/C13H21N3O4/c14-15-13(19)11-2-1-3-12(10-11)20-9-6-16(4-7-17)5-8-18/h1-3,10,17-18H,4-9,14H2,(H,15,19)
InChIKeyGDSKSQBOQVDNRV-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.04
Rot. Bonds9

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

3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide (PubChem CID 63573041) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
PubChem CID63573041
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN(CCO)CCO)c1
InChIInChI=1S/C13H21N3O4/c14-15-13(19)11-2-1-3-12(10-11)20-9-6-16(4-7-17)5-8-18/h1-3,10,17-18H,4-9,14H2,(H,15,19)
InChIKeyGDSKSQBOQVDNRV-UHFFFAOYSA-N
XLogP-1.04
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
CID 63583247
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
3-pentoxybenzohydrazide
CID 54793157
3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572520
3-heptoxybenzohydrazide
CID 54793165
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-hexoxybenzohydrazide
CID 54793158
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 107493128
3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
CID 63583349

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide (CID 63573041) is 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide is NNC(=O)c1cccc(OCCN(CCO)CCO)c1.
What is the InChIKey of 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
The InChIKey is GDSKSQBOQVDNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c14-15-13(19)11-2-1-3-12(10-11)20-9-6-16(4-7-17)5-8-18/h1-3,10,17-18H,4-9,14H2,(H,15,19).
What are the key properties of 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide has a molecular weight of 283.33 g/mol, XLogP of -1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63573041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).