N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide

C22H36N2O3 — CID 2960871

IUPACN-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCOCCNC(=O)C(NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H36N2O3/c1-27-8-7-23-21(26)19(24-20(25)18-5-3-2-4-6-18)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-19H,2-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyJCOMRIYPPKGGHZ-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.03
Rot. Bonds7

About N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2960871) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2960871
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCOCCNC(=O)C(NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H36N2O3/c1-27-8-7-23-21(26)19(24-20(25)18-5-3-2-4-6-18)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-19H,2-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyJCOMRIYPPKGGHZ-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 2960871) is N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide is COCCNC(=O)C(NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is JCOMRIYPPKGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-27-8-7-23-21(26)19(24-20(25)18-5-3-2-4-6-18)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-19H,2-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 376.54 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2960871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).