N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide

C23H32N2O2 — CID 108509082

IUPACN-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O2/c1-3-25(15-17-7-5-4-6-8-17)22(27)21(26)24-16(2)23-12-18-9-19(13-23)11-20(10-18)14-23/h4-8,16,18-20H,3,9-15H2,1-2H3,(H,24,26)
InChIKeyGLAJEHQSOVTLKE-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide

N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide (PubChem CID 108509082) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide
PubChem CID108509082
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O2/c1-3-25(15-17-7-5-4-6-8-17)22(27)21(26)24-16(2)23-12-18-9-19(13-23)11-20(10-18)14-23/h4-8,16,18-20H,3,9-15H2,1-2H3,(H,24,26)
InChIKeyGLAJEHQSOVTLKE-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
CID 108509213
N-[1-(1-adamantyl)ethyl]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 5030237
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-[1-(1-adamantyl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 3762847
N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7800864
N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108509196
N-[1-(1-adamantyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2922015
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 78798058
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide
CID 58624488

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide (CID 108509082) is N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide is CCN(Cc1ccccc1)C(=O)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide?
The InChIKey is GLAJEHQSOVTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-25(15-17-7-5-4-6-8-17)22(27)21(26)24-16(2)23-12-18-9-19(13-23)11-20(10-18)14-23/h4-8,16,18-20H,3,9-15H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide?
N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide has a molecular weight of 368.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide is sourced from PubChem (CID 108509082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).