4-ethyl-N'-nonan-5-ylbenzohydrazide

C18H30N2O — CID 42631076

IUPAC4-ethyl-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)NNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H30N2O/c1-4-7-9-17(10-8-5-2)19-20-18(21)16-13-11-15(6-3)12-14-16/h11-14,17,19H,4-10H2,1-3H3,(H,20,21)
InChIKeyATAILSGXAMMNNM-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.23
Rot. Bonds10

About 4-ethyl-N'-nonan-5-ylbenzohydrazide

4-ethyl-N'-nonan-5-ylbenzohydrazide (PubChem CID 42631076) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-ethyl-N'-nonan-5-ylbenzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-nonan-5-ylbenzohydrazide
PubChem CID42631076
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-ethyl-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)NNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H30N2O/c1-4-7-9-17(10-8-5-2)19-20-18(21)16-13-11-15(6-3)12-14-16/h11-14,17,19H,4-10H2,1-3H3,(H,20,21)
InChIKeyATAILSGXAMMNNM-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-ethyl-N'-nonan-5-ylbenzohydrazide?
The IUPAC name of 4-ethyl-N'-nonan-5-ylbenzohydrazide (CID 42631076) is 4-ethyl-N'-nonan-5-ylbenzohydrazide.
What is the SMILES notation for 4-ethyl-N'-nonan-5-ylbenzohydrazide?
The canonical SMILES for 4-ethyl-N'-nonan-5-ylbenzohydrazide is CCCCC(CCCC)NNC(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N'-nonan-5-ylbenzohydrazide?
The InChIKey is ATAILSGXAMMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-7-9-17(10-8-5-2)19-20-18(21)16-13-11-15(6-3)12-14-16/h11-14,17,19H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 4-ethyl-N'-nonan-5-ylbenzohydrazide?
4-ethyl-N'-nonan-5-ylbenzohydrazide has a molecular weight of 290.45 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-nonan-5-ylbenzohydrazide is sourced from PubChem (CID 42631076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).