[2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate

C17H21NO4 — CID 3674692

IUPAC[2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21NO4/c19-15(10-22-16(20)14-2-1-3-21-14)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,18,19)
InChIKeyPLOMIVOHXDIJSN-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.52
Rot. Bonds4

About [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate

[2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3674692) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate
PubChem CID3674692
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21NO4/c19-15(10-22-16(20)14-2-1-3-21-14)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,18,19)
InChIKeyPLOMIVOHXDIJSN-UHFFFAOYSA-N
XLogP2.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate (CID 3674692) is [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is PLOMIVOHXDIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15(10-22-16(20)14-2-1-3-21-14)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,18,19).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate?
[2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3674692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).