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

C20H32N2O2 — CID 108504332

IUPACN'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide
SMILESCC(NC(=O)C(=O)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-18(23)19(24)22-17-5-3-2-4-6-17/h13-17H,2-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRQQGFLXNKZFLIY-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.16
Rot. Bonds3

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

N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide (PubChem CID 108504332) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide
PubChem CID108504332
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide
SMILESCC(NC(=O)C(=O)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-18(23)19(24)22-17-5-3-2-4-6-17/h13-17H,2-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRQQGFLXNKZFLIY-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1-adamantyl)ethyl]-N-(1,1-dioxothiolan-3-yl)oxamide
CID 108509114
N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
CID 108509213
N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
N-cyclobutyl-N'-propan-2-yloxamide
CID 130668799
methyl 2-(1-adamantyl)-2-(cyclohexylcarbamoylamino)acetate
CID 4628350
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N'-[1-(1-adamantyl)ethyl]-N-butyloxamide
CID 108505075
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide (CID 108504332) is N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide is CC(NC(=O)C(=O)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide?
The InChIKey is RQQGFLXNKZFLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-18(23)19(24)22-17-5-3-2-4-6-17/h13-17H,2-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide?
N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide has a molecular weight of 332.49 g/mol, XLogP of 3.16, 3 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-cyclohexyloxamide is sourced from PubChem (CID 108504332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).