N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide

C21H28N2O3 — CID 108509078

IUPACN'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O3/c1-12-3-4-18(24)17(5-12)23-20(26)19(25)22-13(2)21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,13-16,24H,6-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIDSMWSUKKHDDTO-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds3

About N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide

N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide (PubChem CID 108509078) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
PubChem CID108509078
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O3/c1-12-3-4-18(24)17(5-12)23-20(26)19(25)22-13(2)21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,13-16,24H,6-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIDSMWSUKKHDDTO-UHFFFAOYSA-N
XLogP3.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
CID 108509141
1-[(1R)-1-(1-adamantyl)ethyl]-3-(2,5-dimethylphenyl)thiourea
CID 8614549
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide
CID 108509023
N'-[1-(1-adamantyl)ethyl]-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108509013
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
CID 108509156
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192602
(E)-N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 7405594

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide (CID 108509078) is N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide is Cc1ccc(O)c(NC(=O)C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide?
The InChIKey is IDSMWSUKKHDDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-12-3-4-18(24)17(5-12)23-20(26)19(25)22-13(2)21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,13-16,24H,6-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide?
N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide has a molecular weight of 356.47 g/mol, XLogP of 3.36, 3 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-hydroxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108509078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).