4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide

C19H24N2O4 — CID 108740670

IUPAC4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(N)=O
InChIInChI=1S/C19H24N2O4/c1-9(22)14-10(2)25-17(15(14)16(20)23)21-18(24)19-6-11-3-12(7-19)5-13(4-11)8-19/h11-13H,3-8H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyXGYRWLUKUABKNS-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.04
Rot. Bonds4

About 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide

4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide (PubChem CID 108740670) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide
PubChem CID108740670
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(N)=O
InChIInChI=1S/C19H24N2O4/c1-9(22)14-10(2)25-17(15(14)16(20)23)21-18(24)19-6-11-3-12(7-19)5-13(4-11)8-19/h11-13H,3-8H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyXGYRWLUKUABKNS-UHFFFAOYSA-N
XLogP3.04
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide (CID 108740670) is 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide?
The InChIKey is XGYRWLUKUABKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-9(22)14-10(2)25-17(15(14)16(20)23)21-18(24)19-6-11-3-12(7-19)5-13(4-11)8-19/h11-13H,3-8H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide?
4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108740670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).