N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide

C16H18N2O4 — CID 652228

IUPACN-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C16H18N2O4/c19-15(13-7-3-9-21-13)17-11-5-1-2-6-12(11)18-16(20)14-8-4-10-22-14/h3-4,7-12H,1-2,5-6H2,(H,17,19)(H,18,20)
InChIKeyLQIWHZFPZLBLPS-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide

N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide (PubChem CID 652228) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide
PubChem CID652228
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C16H18N2O4/c19-15(13-7-3-9-21-13)17-11-5-1-2-6-12(11)18-16(20)14-8-4-10-22-14/h3-4,7-12H,1-2,5-6H2,(H,17,19)(H,18,20)
InChIKeyLQIWHZFPZLBLPS-UHFFFAOYSA-N
XLogP2.34
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide (CID 652228) is N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide is O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide?
The InChIKey is LQIWHZFPZLBLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15(13-7-3-9-21-13)17-11-5-1-2-6-12(11)18-16(20)14-8-4-10-22-14/h3-4,7-12H,1-2,5-6H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide?
N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 652228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).