N-[(2-methoxy-2-adamantyl)methyl]acetamide

C14H23NO2 — CID 72719690

IUPACN-[(2-methoxy-2-adamantyl)methyl]acetamide
SMILESCOC1(CNC(C)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO2/c1-9(16)15-8-14(17-2)12-4-10-3-11(6-12)7-13(14)5-10/h10-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyYMWWNDJETDIOPB-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.96
Rot. Bonds3

About N-[(2-methoxy-2-adamantyl)methyl]acetamide

N-[(2-methoxy-2-adamantyl)methyl]acetamide (PubChem CID 72719690) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]acetamide
PubChem CID72719690
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]acetamide
SMILESCOC1(CNC(C)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO2/c1-9(16)15-8-14(17-2)12-4-10-3-11(6-12)7-13(14)5-10/h10-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyYMWWNDJETDIOPB-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]acetamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]acetamide (CID 72719690) is N-[(2-methoxy-2-adamantyl)methyl]acetamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]acetamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]acetamide is COC1(CNC(C)=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]acetamide?
The InChIKey is YMWWNDJETDIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(16)15-8-14(17-2)12-4-10-3-11(6-12)7-13(14)5-10/h10-13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]acetamide?
N-[(2-methoxy-2-adamantyl)methyl]acetamide has a molecular weight of 237.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]acetamide is sourced from PubChem (CID 72719690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).