N'-benzoyladamantane-1-carbohydrazide

C18H22N2O2 — CID 3325781

IUPACN'-benzoyladamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C18H22N2O2/c21-16(15-4-2-1-3-5-15)19-20-17(22)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,19,21)(H,20,22)
InChIKeyGMRKBTOYTFNOLW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.66
Rot. Bonds2

About N'-benzoyladamantane-1-carbohydrazide

N'-benzoyladamantane-1-carbohydrazide (PubChem CID 3325781) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N'-benzoyladamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyladamantane-1-carbohydrazide
PubChem CID3325781
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN'-benzoyladamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C18H22N2O2/c21-16(15-4-2-1-3-5-15)19-20-17(22)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,19,21)(H,20,22)
InChIKeyGMRKBTOYTFNOLW-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.66
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 N'-benzoyladamantane-1-carbohydrazide?
The IUPAC name of N'-benzoyladamantane-1-carbohydrazide (CID 3325781) is N'-benzoyladamantane-1-carbohydrazide.
What is the SMILES notation for N'-benzoyladamantane-1-carbohydrazide?
The canonical SMILES for N'-benzoyladamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N'-benzoyladamantane-1-carbohydrazide?
The InChIKey is GMRKBTOYTFNOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-16(15-4-2-1-3-5-15)19-20-17(22)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyladamantane-1-carbohydrazide?
N'-benzoyladamantane-1-carbohydrazide has a molecular weight of 298.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyladamantane-1-carbohydrazide is sourced from PubChem (CID 3325781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).