N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide

C22H28N2O3 — CID 108509023

IUPACN-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H28N2O3/c1-13(25)18-3-5-19(6-4-18)24-21(27)20(26)23-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVDOWLZHCJYPOMP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.55
Rot. Bonds4

About N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide

N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide (PubChem CID 108509023) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide
PubChem CID108509023
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H28N2O3/c1-13(25)18-3-5-19(6-4-18)24-21(27)20(26)23-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVDOWLZHCJYPOMP-UHFFFAOYSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
CID 108509156
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
CID 108509141
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
(2S)-N-(4-acetylphenyl)-2-(1-adamantylmethylamino)propanamide
CID 8512129
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514363
4-[[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108842678
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1-adamantylmethyl)azanium
CID 8512132
N'-(4-acetylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108514763
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide (CID 108509023) is N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide is CC(=O)c1ccc(NC(=O)C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide?
The InChIKey is VDOWLZHCJYPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-13(25)18-3-5-19(6-4-18)24-21(27)20(26)23-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide?
N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide has a molecular weight of 368.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide is sourced from PubChem (CID 108509023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).