N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide

C18H30N2O3 — CID 24550355

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H30N2O3/c1-16(2,3)20-15(22)10-19-14(21)9-17-5-12-4-13(6-17)8-18(23,7-12)11-17/h12-13,23H,4-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZXFRXAURVHLLOG-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 24550355) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID24550355
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H30N2O3/c1-16(2,3)20-15(22)10-19-14(21)9-17-5-12-4-13(6-17)8-18(23,7-12)11-17/h12-13,23H,4-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZXFRXAURVHLLOG-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide (CID 24550355) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide is CC(C)(C)NC(=O)CNC(=O)CC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is ZXFRXAURVHLLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-16(2,3)20-15(22)10-19-14(21)9-17-5-12-4-13(6-17)8-18(23,7-12)11-17/h12-13,23H,4-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 24550355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).