N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide

C20H27N3O2 — CID 108527915

IUPACN'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27N3O2/c1-23(2)17-5-3-16(4-6-17)21-18(24)19(25)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNXWKRUKHIIVUHM-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.78
Rot. Bonds3

About N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide

N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide (PubChem CID 108527915) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide
PubChem CID108527915
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27N3O2/c1-23(2)17-5-3-16(4-6-17)21-18(24)19(25)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNXWKRUKHIIVUHM-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1-adamantyl)-N-(4-butylphenyl)oxamide
CID 108502507
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-(1-adamantyl)-N'-methyl-N'-phenyloxamide
CID 108520987
N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512826
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 70609542
[(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 25337612
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
ethyl 2-[[2-(1-adamantylamino)-2-oxoacetyl]amino]benzoate
CID 108501905

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide (CID 108527915) is N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide is CN(C)c1ccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide?
The InChIKey is NXWKRUKHIIVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(2)17-5-3-16(4-6-17)21-18(24)19(25)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide?
N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide has a molecular weight of 341.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108527915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).