2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide

C24H40N2O — CID 3274070

IUPAC2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C24H40N2O/c27-23(18-24-15-19-12-20(16-24)14-21(13-19)17-24)26-25-22-10-8-6-4-2-1-3-5-7-9-11-22/h19-21H,1-18H2,(H,26,27)
InChIKeyFWPOKORBIIHXGR-UHFFFAOYSA-N
MW372.60 g/mol
LogP6.37
Rot. Bonds3

About 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide

2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide (PubChem CID 3274070) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide
PubChem CID3274070
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C24H40N2O/c27-23(18-24-15-19-12-20(16-24)14-21(13-19)17-24)26-25-22-10-8-6-4-2-1-3-5-7-9-11-22/h19-21H,1-18H2,(H,26,27)
InChIKeyFWPOKORBIIHXGR-UHFFFAOYSA-N
XLogP6.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 56.37
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 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide (CID 3274070) is 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CCCCCCCCCCC1.
What is the InChIKey of 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide?
The InChIKey is FWPOKORBIIHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c27-23(18-24-15-19-12-20(16-24)14-21(13-19)17-24)26-25-22-10-8-6-4-2-1-3-5-7-9-11-22/h19-21H,1-18H2,(H,26,27).
What are the key properties of 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide?
2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide has a molecular weight of 372.60 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(cyclododecylideneamino)acetamide is sourced from PubChem (CID 3274070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).