3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide

C13H17N3O4 — CID 79468409

IUPAC3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN2CCOCC2=O)c1
InChIInChI=1S/C13H17N3O4/c14-15-13(18)10-2-1-3-11(8-10)20-7-5-16-4-6-19-9-12(16)17/h1-3,8H,4-7,9,14H2,(H,15,18)
InChIKeyUHDMWXTWKMGURC-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.47
Rot. Bonds5

About 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide

3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide (PubChem CID 79468409) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
PubChem CID79468409
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN2CCOCC2=O)c1
InChIInChI=1S/C13H17N3O4/c14-15-13(18)10-2-1-3-11(8-10)20-7-5-16-4-6-19-9-12(16)17/h1-3,8H,4-7,9,14H2,(H,15,18)
InChIKeyUHDMWXTWKMGURC-UHFFFAOYSA-N
XLogP-0.47
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.47
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

4-[2-[3-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79469073
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzonitrile
CID 79468674
3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide
CID 63579041
4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one
CID 79468596
3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
CID 81214161
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462
N-(1-methylcyclobutyl)-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 46969344
3-[2-(3,5-dioxomorpholin-4-yl)ethoxy]benzenecarbothioamide
CID 61313300
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
3-pentoxybenzohydrazide
CID 54793157
4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
CID 155587801
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide?
The IUPAC name of 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide (CID 79468409) is 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide is NNC(=O)c1cccc(OCCN2CCOCC2=O)c1.
What is the InChIKey of 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide?
The InChIKey is UHDMWXTWKMGURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-15-13(18)10-2-1-3-11(8-10)20-7-5-16-4-6-19-9-12(16)17/h1-3,8H,4-7,9,14H2,(H,15,18).
What are the key properties of 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide?
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide has a molecular weight of 279.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 79468409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).