N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide

C24H32N2O3 — CID 42645602

IUPACN'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1cccc(OC)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-4-6-15-21(16-7-5-2)26(24(28)19-12-9-8-10-13-19)25-23(27)20-14-11-17-22(18-20)29-3/h8-14,17-18,21H,4-7,15-16H2,1-3H3,(H,25,27)
InChIKeyNWYPYYCNKKIFEL-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.23
Rot. Bonds10

About N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide

N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide (PubChem CID 42645602) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide
PubChem CID42645602
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1cccc(OC)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-4-6-15-21(16-7-5-2)26(24(28)19-12-9-8-10-13-19)25-23(27)20-14-11-17-22(18-20)29-3/h8-14,17-18,21H,4-7,15-16H2,1-3H3,(H,25,27)
InChIKeyNWYPYYCNKKIFEL-UHFFFAOYSA-N
XLogP5.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide?
The IUPAC name of N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide (CID 42645602) is N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide?
The canonical SMILES for N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide is CCCCC(CCCC)N(NC(=O)c1cccc(OC)c1)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide?
The InChIKey is NWYPYYCNKKIFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-6-15-21(16-7-5-2)26(24(28)19-12-9-8-10-13-19)25-23(27)20-14-11-17-22(18-20)29-3/h8-14,17-18,21H,4-7,15-16H2,1-3H3,(H,25,27).
What are the key properties of N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide?
N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide has a molecular weight of 396.53 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide is sourced from PubChem (CID 42645602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).