N-(3-acetamido-5-methyl-1-adamantyl)acetamide

C15H24N2O2 — CID 2842691

IUPACN-(3-acetamido-5-methyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C)(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C15H24N2O2/c1-10(18)16-14-5-12-4-13(3,7-14)8-15(6-12,9-14)17-11(2)19/h12H,4-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyROJXOZJNYVQVOH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds2

About N-(3-acetamido-5-methyl-1-adamantyl)acetamide

N-(3-acetamido-5-methyl-1-adamantyl)acetamide (PubChem CID 2842691) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-acetamido-5-methyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-5-methyl-1-adamantyl)acetamide
PubChem CID2842691
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-acetamido-5-methyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C)(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C15H24N2O2/c1-10(18)16-14-5-12-4-13(3,7-14)8-15(6-12,9-14)17-11(2)19/h12H,4-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyROJXOZJNYVQVOH-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-5-methyl-1-adamantyl)acetamide?
The IUPAC name of N-(3-acetamido-5-methyl-1-adamantyl)acetamide (CID 2842691) is N-(3-acetamido-5-methyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3-acetamido-5-methyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3-acetamido-5-methyl-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C)(C1)CC(NC(C)=O)(C3)C2.
What is the InChIKey of N-(3-acetamido-5-methyl-1-adamantyl)acetamide?
The InChIKey is ROJXOZJNYVQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(18)16-14-5-12-4-13(3,7-14)8-15(6-12,9-14)17-11(2)19/h12H,4-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamido-5-methyl-1-adamantyl)acetamide?
N-(3-acetamido-5-methyl-1-adamantyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-5-methyl-1-adamantyl)acetamide is sourced from PubChem (CID 2842691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).