2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide

C20H33N3O3 — CID 2994899

IUPAC2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1
InChIInChI=1S/C20H33N3O3/c24-18(13-20-10-15-7-16(11-20)9-17(8-15)12-20)22-14-19(25)21-1-2-23-3-5-26-6-4-23/h15-17H,1-14H2,(H,21,25)(H,22,24)
InChIKeyXOILMWVUWYZUOE-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.16
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide (PubChem CID 2994899) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
PubChem CID2994899
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1
InChIInChI=1S/C20H33N3O3/c24-18(13-20-10-15-7-16(11-20)9-17(8-15)12-20)22-14-19(25)21-1-2-23-3-5-26-6-4-23/h15-17H,1-14H2,(H,21,25)(H,22,24)
InChIKeyXOILMWVUWYZUOE-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide (CID 2994899) is 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide is O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The InChIKey is XOILMWVUWYZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c24-18(13-20-10-15-7-16(11-20)9-17(8-15)12-20)22-14-19(25)21-1-2-23-3-5-26-6-4-23/h15-17H,1-14H2,(H,21,25)(H,22,24).
What are the key properties of 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 2994899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).