N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide

C17H35N3O3 — CID 58492176

IUPACN'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)NN(CC)CC(O)C(CC)CC(=O)C(C)NC
InChIInChI=1S/C17H35N3O3/c1-7-12(4)17(23)19-20(9-3)11-16(22)14(8-2)10-15(21)13(5)18-6/h12-14,16,18,22H,7-11H2,1-6H3,(H,19,23)
InChIKeyXGROXZVLMHKCOF-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.34
Rot. Bonds12

About N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide

N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide (PubChem CID 58492176) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide.

Molecular Properties

Compound NameN'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide
PubChem CID58492176
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC NameN'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)NN(CC)CC(O)C(CC)CC(=O)C(C)NC
InChIInChI=1S/C17H35N3O3/c1-7-12(4)17(23)19-20(9-3)11-16(22)14(8-2)10-15(21)13(5)18-6/h12-14,16,18,22H,7-11H2,1-6H3,(H,19,23)
InChIKeyXGROXZVLMHKCOF-UHFFFAOYSA-N
XLogP1.34
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide?
The IUPAC name of N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide (CID 58492176) is N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide.
What is the SMILES notation for N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide?
The canonical SMILES for N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide is CCC(C)C(=O)NN(CC)CC(O)C(CC)CC(=O)C(C)NC.
What is the InChIKey of N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide?
The InChIKey is XGROXZVLMHKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-7-12(4)17(23)19-20(9-3)11-16(22)14(8-2)10-15(21)13(5)18-6/h12-14,16,18,22H,7-11H2,1-6H3,(H,19,23).
What are the key properties of N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide?
N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide has a molecular weight of 329.49 g/mol, XLogP of 1.34, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide is sourced from PubChem (CID 58492176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).