2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide

C17H23NO2 — CID 2960695

IUPAC2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccco1
InChIInChI=1S/C17H23NO2/c19-16(18-11-15-2-1-3-20-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,12-14H,4-11H2,(H,18,19)
InChIKeySZISOODMYPLTRN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds4

About 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide

2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2960695) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID2960695
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccco1
InChIInChI=1S/C17H23NO2/c19-16(18-11-15-2-1-3-20-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,12-14H,4-11H2,(H,18,19)
InChIKeySZISOODMYPLTRN-UHFFFAOYSA-N
XLogP3.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide (CID 2960695) is 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccco1.
What is the InChIKey of 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SZISOODMYPLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(18-11-15-2-1-3-20-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,12-14H,4-11H2,(H,18,19).
What are the key properties of 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide?
2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2960695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).