N-(furan-2-ylmethyl)adamantane-1-carboxamide

C16H21NO2 — CID 2831224

IUPACN-(furan-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21NO2/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,17,18)
InChIKeyYVWSZSNQWHKUKU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.11
Rot. Bonds3

About N-(furan-2-ylmethyl)adamantane-1-carboxamide

N-(furan-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 2831224) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)adamantane-1-carboxamide
PubChem CID2831224
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(furan-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21NO2/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,17,18)
InChIKeyYVWSZSNQWHKUKU-UHFFFAOYSA-N
XLogP3.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)adamantane-1-carboxamide (CID 2831224) is N-(furan-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)adamantane-1-carboxamide is O=C(NCc1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(furan-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is YVWSZSNQWHKUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)adamantane-1-carboxamide?
N-(furan-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 2831224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).