N'-[1-(1-adamantyl)ethyl]-N-butyloxamide

C18H30N2O2 — CID 108505075

IUPACN'-[1-(1-adamantyl)ethyl]-N-butyloxamide
SMILESCCCCNC(=O)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c1-3-4-5-19-16(21)17(22)20-12(2)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,3-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKVJFXXUDPLQJKE-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.62
Rot. Bonds5

About N'-[1-(1-adamantyl)ethyl]-N-butyloxamide

N'-[1-(1-adamantyl)ethyl]-N-butyloxamide (PubChem CID 108505075) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-butyloxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-butyloxamide
PubChem CID108505075
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-butyloxamide
SMILESCCCCNC(=O)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c1-3-4-5-19-16(21)17(22)20-12(2)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,3-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKVJFXXUDPLQJKE-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-butyloxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-butyloxamide (CID 108505075) is N'-[1-(1-adamantyl)ethyl]-N-butyloxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-butyloxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-butyloxamide is CCCCNC(=O)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-butyloxamide?
The InChIKey is KVJFXXUDPLQJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-4-5-19-16(21)17(22)20-12(2)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,3-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-butyloxamide?
N'-[1-(1-adamantyl)ethyl]-N-butyloxamide has a molecular weight of 306.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-butyloxamide is sourced from PubChem (CID 108505075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).