N'-(2-methylbenzoyl)adamantane-1-carbohydrazide

C19H24N2O2 — CID 2841719

IUPACN'-(2-methylbenzoyl)adamantane-1-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O2/c1-12-4-2-3-5-16(12)17(22)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyJBXJBHYCIRIQQM-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.97
Rot. Bonds2

About N'-(2-methylbenzoyl)adamantane-1-carbohydrazide

N'-(2-methylbenzoyl)adamantane-1-carbohydrazide (PubChem CID 2841719) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)adamantane-1-carbohydrazide
PubChem CID2841719
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN'-(2-methylbenzoyl)adamantane-1-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O2/c1-12-4-2-3-5-16(12)17(22)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyJBXJBHYCIRIQQM-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.97
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'-(2-methylbenzoyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)adamantane-1-carbohydrazide (CID 2841719) is N'-(2-methylbenzoyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)adamantane-1-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(2-methylbenzoyl)adamantane-1-carbohydrazide?
The InChIKey is JBXJBHYCIRIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-4-2-3-5-16(12)17(22)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-methylbenzoyl)adamantane-1-carbohydrazide?
N'-(2-methylbenzoyl)adamantane-1-carbohydrazide has a molecular weight of 312.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbenzoyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 2841719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).