[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate

C18H23NO4 — CID 2998659

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1
InChIInChI=1S/C18H23NO4/c20-16(19-10-15-2-1-3-22-15)11-23-17(21)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,19,20)
InChIKeyMOSOSUPDUHNNDQ-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.66
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 2998659) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID2998659
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1
InChIInChI=1S/C18H23NO4/c20-16(19-10-15-2-1-3-22-15)11-23-17(21)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,19,20)
InChIKeyMOSOSUPDUHNNDQ-UHFFFAOYSA-N
XLogP2.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate (CID 2998659) is [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate is O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is MOSOSUPDUHNNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c20-16(19-10-15-2-1-3-22-15)11-23-17(21)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,19,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 2998659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).