N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide

C20H34N2O4 — CID 2851476

IUPACN-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide
SMILESCOCCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCCOC)(C3)C2
InChIInChI=1S/C20H34N2O4/c1-25-5-3-21-17(23)12-19-8-15-7-16(9-19)11-20(10-15,14-19)13-18(24)22-4-6-26-2/h15-16H,3-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMKGZUPCWKXETPK-UHFFFAOYSA-N
MW366.50 g/mol
LogP1.88
Rot. Bonds10

About N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide

N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide (PubChem CID 2851476) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide
PubChem CID2851476
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC NameN-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide
SMILESCOCCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCCOC)(C3)C2
InChIInChI=1S/C20H34N2O4/c1-25-5-3-21-17(23)12-19-8-15-7-16(9-19)11-20(10-15,14-19)13-18(24)22-4-6-26-2/h15-16H,3-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMKGZUPCWKXETPK-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide (CID 2851476) is N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide is COCCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCCOC)(C3)C2.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide?
The InChIKey is MKGZUPCWKXETPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-25-5-3-21-17(23)12-19-8-15-7-16(9-19)11-20(10-15,14-19)13-18(24)22-4-6-26-2/h15-16H,3-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide?
N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide has a molecular weight of 366.50 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide is sourced from PubChem (CID 2851476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).