N'-(1-adamantyl)-N-(4-butylphenyl)oxamide

C22H30N2O2 — CID 108502507

IUPACN'-(1-adamantyl)-N-(4-butylphenyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O2/c1-2-3-4-15-5-7-19(8-6-15)23-20(25)21(26)24-22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18H,2-4,9-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyKKIHOIRXIFNUDZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.05
Rot. Bonds5

About N'-(1-adamantyl)-N-(4-butylphenyl)oxamide

N'-(1-adamantyl)-N-(4-butylphenyl)oxamide (PubChem CID 108502507) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(4-butylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(4-butylphenyl)oxamide
PubChem CID108502507
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN'-(1-adamantyl)-N-(4-butylphenyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O2/c1-2-3-4-15-5-7-19(8-6-15)23-20(25)21(26)24-22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18H,2-4,9-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyKKIHOIRXIFNUDZ-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.05
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,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527915
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
N-(1-adamantyl)-4-butylbenzenesulfonamide
CID 19681549
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
pentyl 4-(1-adamantylcarbamoylamino)benzoate
CID 11338104
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
CID 142913201

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(4-butylphenyl)oxamide?
The IUPAC name of N'-(1-adamantyl)-N-(4-butylphenyl)oxamide (CID 108502507) is N'-(1-adamantyl)-N-(4-butylphenyl)oxamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(4-butylphenyl)oxamide?
The canonical SMILES for N'-(1-adamantyl)-N-(4-butylphenyl)oxamide is CCCCc1ccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N'-(1-adamantyl)-N-(4-butylphenyl)oxamide?
The InChIKey is KKIHOIRXIFNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-4-15-5-7-19(8-6-15)23-20(25)21(26)24-22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18H,2-4,9-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(1-adamantyl)-N-(4-butylphenyl)oxamide?
N'-(1-adamantyl)-N-(4-butylphenyl)oxamide has a molecular weight of 354.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(4-butylphenyl)oxamide is sourced from PubChem (CID 108502507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).