N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide

C21H27N3O3 — CID 108509141

IUPACN'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1C(N)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O3/c1-12(21-9-13-6-14(10-21)8-15(7-13)11-21)23-19(26)20(27)24-17-5-3-2-4-16(17)18(22)25/h2-5,12-15H,6-11H2,1H3,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyHWCIAJRMHYNGGI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.45
Rot. Bonds4

About N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide

N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide (PubChem CID 108509141) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
PubChem CID108509141
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1C(N)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O3/c1-12(21-9-13-6-14(10-21)8-15(7-13)11-21)23-19(26)20(27)24-17-5-3-2-4-16(17)18(22)25/h2-5,12-15H,6-11H2,1H3,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyHWCIAJRMHYNGGI-UHFFFAOYSA-N
XLogP2.45
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamoylphenyl)-N'-propan-2-yloxamide
CID 108503318
N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509078
N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide
CID 108509023
N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
CID 94792798
1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
N'-[1-(1-adamantyl)ethyl]-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108509013
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-2-bromobenzamide
CID 7311411
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540227
N-[1-(1-adamantyl)ethylcarbamothioyl]-2-iodobenzamide
CID 3648012
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide (CID 108509141) is N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide is CC(NC(=O)C(=O)Nc1ccccc1C(N)=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide?
The InChIKey is HWCIAJRMHYNGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-12(21-9-13-6-14(10-21)8-15(7-13)11-21)23-19(26)20(27)24-17-5-3-2-4-16(17)18(22)25/h2-5,12-15H,6-11H2,1H3,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide?
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide has a molecular weight of 369.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide is sourced from PubChem (CID 108509141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).