2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide

C18H30N2O2 — CID 2940569

IUPAC2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1
InChIInChI=1S/C18H30N2O2/c21-17(19-1-2-20-3-5-22-6-4-20)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2,(H,19,21)
InChIKeyVIXCHXCYOCDZSM-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.04
Rot. Bonds5

About 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide

2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 2940569) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID2940569
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1
InChIInChI=1S/C18H30N2O2/c21-17(19-1-2-20-3-5-22-6-4-20)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2,(H,19,21)
InChIKeyVIXCHXCYOCDZSM-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 2940569) is 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is VIXCHXCYOCDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-17(19-1-2-20-3-5-22-6-4-20)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2,(H,19,21).
What are the key properties of 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 2940569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).