CID 66859796

C19H33N2OSn — CID 66859796

IUPAC—
SMILESCCCC[Sn](CCCC)CC(CC)c1ccccc1C(=O)NN
InChIInChI=1S/C11H15N2O.2C4H9.Sn/c1-3-8(2)9-6-4-5-7-10(9)11(14)13-12;2*1-3-4-2;/h4-8H,2-3,12H2,1H3,(H,13,14);2*1,3-4H2,2H3;
InChIKeyNNFOOAZQGIJQME-UHFFFAOYSA-N
MW424.20 g/mol
LogP4.88
Rot. Bonds11

About CID 66859796

CID 66859796 (PubChem CID 66859796) has the molecular formula C19H33N2OSn and a molecular weight of 424.20 g/mol.

Molecular Properties

Compound NameCID 66859796
PubChem CID66859796
Molecular FormulaC19H33N2OSn
Molecular Weight424.20 g/mol
Exact Mass425.16
IUPAC Name—
SMILESCCCC[Sn](CCCC)CC(CC)c1ccccc1C(=O)NN
InChIInChI=1S/C11H15N2O.2C4H9.Sn/c1-3-8(2)9-6-4-5-7-10(9)11(14)13-12;2*1-3-4-2;/h4-8H,2-3,12H2,1H3,(H,13,14);2*1,3-4H2,2H3;
InChIKeyNNFOOAZQGIJQME-UHFFFAOYSA-N
XLogP4.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.20
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

CID 66858642
CID 66858642
2-(1-fluorobutyl)benzohydrazide
CID 146469661
2-[hydroxy(phenyl)methyl]benzohydrazide
CID 54150972
2-pentoxybenzohydrazide
CID 54793215
2-butylsulfonylbenzohydrazide
CID 23293458
2-tributylstannylbenzohydrazide
CID 66859798
2-propylbenzohydrazide
CID 140653675
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
2-(1-cyano-2-methylpropyl)benzohydrazide
CID 121009174
N-butyl-2-(1-fluoroethyl)benzamide
CID 170393539
2-icosan-9-ylbenzoate
CID 23205653
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620

Frequently Asked Questions

What is the IUPAC name of CID 66859796?
The IUPAC name of CID 66859796 (CID 66859796) is not available.
What is the SMILES notation for CID 66859796?
The canonical SMILES for CID 66859796 is CCCC[Sn](CCCC)CC(CC)c1ccccc1C(=O)NN.
What is the InChIKey of CID 66859796?
The InChIKey is NNFOOAZQGIJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O.2C4H9.Sn/c1-3-8(2)9-6-4-5-7-10(9)11(14)13-12;2*1-3-4-2;/h4-8H,2-3,12H2,1H3,(H,13,14);2*1,3-4H2,2H3;.
What are the key properties of CID 66859796?
CID 66859796 has a molecular weight of 424.20 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66859796 is sourced from PubChem (CID 66859796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).