N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C16H23NO4 — CID 71919166

IUPACN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)C1CC2CCC1O2
InChIInChI=1S/C16H23NO4/c1-11-3-4-13(20-11)10-17(7-8-19-2)16(18)14-9-12-5-6-15(14)21-12/h3-4,12,14-15H,5-10H2,1-2H3
InChIKeyMIAGPFGTNSPOGV-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.13
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71919166) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71919166
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)C1CC2CCC1O2
InChIInChI=1S/C16H23NO4/c1-11-3-4-13(20-11)10-17(7-8-19-2)16(18)14-9-12-5-6-15(14)21-12/h3-4,12,14-15H,5-10H2,1-2H3
InChIKeyMIAGPFGTNSPOGV-UHFFFAOYSA-N
XLogP2.13
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71919166) is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is COCCN(Cc1ccc(C)o1)C(=O)C1CC2CCC1O2.
What is the InChIKey of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MIAGPFGTNSPOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-3-4-13(20-11)10-17(7-8-19-2)16(18)14-9-12-5-6-15(14)21-12/h3-4,12,14-15H,5-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71919166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).