N-(2-adamantylideneamino)acetamide

C12H18N2O — CID 5132158

IUPACN-(2-adamantylideneamino)acetamide
SMILESCC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18N2O/c1-7(15)13-14-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3,(H,13,15)/b14-12-
InChIKeyZSPDGPJAJQGZSG-OWBHPGMISA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds1

About N-(2-adamantylideneamino)acetamide

N-(2-adamantylideneamino)acetamide (PubChem CID 5132158) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-adamantylideneamino)acetamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)acetamide
PubChem CID5132158
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2-adamantylideneamino)acetamide
SMILESCC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18N2O/c1-7(15)13-14-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3,(H,13,15)/b14-12-
InChIKeyZSPDGPJAJQGZSG-OWBHPGMISA-N
XLogP1.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-(2-adamantylideneamino)acetamide?
The IUPAC name of N-(2-adamantylideneamino)acetamide (CID 5132158) is N-(2-adamantylideneamino)acetamide.
What is the SMILES notation for N-(2-adamantylideneamino)acetamide?
The canonical SMILES for N-(2-adamantylideneamino)acetamide is CC(=O)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylideneamino)acetamide?
The InChIKey is ZSPDGPJAJQGZSG-OWBHPGMISA-N. The full InChI is InChI=1S/C12H18N2O/c1-7(15)13-14-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3,(H,13,15)/b14-12-.
What are the key properties of N-(2-adamantylideneamino)acetamide?
N-(2-adamantylideneamino)acetamide has a molecular weight of 206.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)acetamide is sourced from PubChem (CID 5132158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).