N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide

C13H18N2O4 — CID 17140894

IUPACN'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
SMILESCCOCC(=O)NNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-3-18-9-12(16)14-15-13(17)10(2)19-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMHNCGVMZIQJPQN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.64
Rot. Bonds6

About N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide

N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide (PubChem CID 17140894) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide.

Molecular Properties

Compound NameN'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
PubChem CID17140894
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
SMILESCCOCC(=O)NNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-3-18-9-12(16)14-15-13(17)10(2)19-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMHNCGVMZIQJPQN-UHFFFAOYSA-N
XLogP0.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide?
The IUPAC name of N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide (CID 17140894) is N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide.
What is the SMILES notation for N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide?
The canonical SMILES for N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide is CCOCC(=O)NNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide?
The InChIKey is MHNCGVMZIQJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-9-12(16)14-15-13(17)10(2)19-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide?
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide has a molecular weight of 266.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide is sourced from PubChem (CID 17140894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).