2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide

C14H22N2O2 — CID 541702

IUPAC2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide
SMILESNC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2
InChIInChI=1S/C14H22N2O2/c15-11(17)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(16)18/h9-10H,1-8H2,(H2,15,17)(H2,16,18)
InChIKeyBQXJYESUHDZQOE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide

2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide (PubChem CID 541702) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide
PubChem CID541702
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide
SMILESNC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2
InChIInChI=1S/C14H22N2O2/c15-11(17)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(16)18/h9-10H,1-8H2,(H2,15,17)(H2,16,18)
InChIKeyBQXJYESUHDZQOE-UHFFFAOYSA-N
XLogP1.32
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide?
The IUPAC name of 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide (CID 541702) is 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide?
The canonical SMILES for 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide is NC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2.
What is the InChIKey of 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide?
The InChIKey is BQXJYESUHDZQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-11(17)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(16)18/h9-10H,1-8H2,(H2,15,17)(H2,16,18).
What are the key properties of 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide?
2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethyl)-1-adamantyl]acetamide is sourced from PubChem (CID 541702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).