3-(4-methylphenyl)adamantane-1-carbohydrazide

C18H24N2O — CID 2843886

IUPAC3-(4-methylphenyl)adamantane-1-carbohydrazide
SMILESCc1ccc(C23CC4CC(CC(C(=O)NN)(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O/c1-12-2-4-15(5-3-12)17-7-13-6-14(8-17)10-18(9-13,11-17)16(21)20-19/h2-5,13-14H,6-11,19H2,1H3,(H,20,21)
InChIKeyWIIPTUCEIVCYAP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.82
Rot. Bonds2

About 3-(4-methylphenyl)adamantane-1-carbohydrazide

3-(4-methylphenyl)adamantane-1-carbohydrazide (PubChem CID 2843886) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound Name3-(4-methylphenyl)adamantane-1-carbohydrazide
PubChem CID2843886
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(4-methylphenyl)adamantane-1-carbohydrazide
SMILESCc1ccc(C23CC4CC(CC(C(=O)NN)(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O/c1-12-2-4-15(5-3-12)17-7-13-6-14(8-17)10-18(9-13,11-17)16(21)20-19/h2-5,13-14H,6-11,19H2,1H3,(H,20,21)
InChIKeyWIIPTUCEIVCYAP-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)adamantane-1-carbohydrazide?
The IUPAC name of 3-(4-methylphenyl)adamantane-1-carbohydrazide (CID 2843886) is 3-(4-methylphenyl)adamantane-1-carbohydrazide.
What is the SMILES notation for 3-(4-methylphenyl)adamantane-1-carbohydrazide?
The canonical SMILES for 3-(4-methylphenyl)adamantane-1-carbohydrazide is Cc1ccc(C23CC4CC(CC(C(=O)NN)(C4)C2)C3)cc1.
What is the InChIKey of 3-(4-methylphenyl)adamantane-1-carbohydrazide?
The InChIKey is WIIPTUCEIVCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-2-4-15(5-3-12)17-7-13-6-14(8-17)10-18(9-13,11-17)16(21)20-19/h2-5,13-14H,6-11,19H2,1H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)adamantane-1-carbohydrazide?
3-(4-methylphenyl)adamantane-1-carbohydrazide has a molecular weight of 284.40 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 2843886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).