N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide

C18H31N3O3 — CID 90624346

IUPACN-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NCCN(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H31N3O3/c1-21(2)5-4-19-16(22)17(23)20-11-18(24-3)14-7-12-6-13(9-14)10-15(18)8-12/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyUMEUGUFUEPZKHR-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.62
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide

N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide (PubChem CID 90624346) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
PubChem CID90624346
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NCCN(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H31N3O3/c1-21(2)5-4-19-16(22)17(23)20-11-18(24-3)14-7-12-6-13(9-14)10-15(18)8-12/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyUMEUGUFUEPZKHR-UHFFFAOYSA-N
XLogP0.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide (CID 90624346) is N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide is COC1(CNC(=O)C(=O)NCCN(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
The InChIKey is UMEUGUFUEPZKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-21(2)5-4-19-16(22)17(23)20-11-18(24-3)14-7-12-6-13(9-14)10-15(18)8-12/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide has a molecular weight of 337.46 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide is sourced from PubChem (CID 90624346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).