N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H20N2O3 — CID 47128746

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(CNC(=O)C1CC2CCC1C2)NCc1ccco1
InChIInChI=1S/C15H20N2O3/c18-14(16-8-12-2-1-5-20-12)9-17-15(19)13-7-10-3-4-11(13)6-10/h1-2,5,10-11,13H,3-4,6-9H2,(H,16,18)(H,17,19)
InChIKeyGBYJWTGMKPIOMD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47128746) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47128746
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(CNC(=O)C1CC2CCC1C2)NCc1ccco1
InChIInChI=1S/C15H20N2O3/c18-14(16-8-12-2-1-5-20-12)9-17-15(19)13-7-10-3-4-11(13)6-10/h1-2,5,10-11,13H,3-4,6-9H2,(H,16,18)(H,17,19)
InChIKeyGBYJWTGMKPIOMD-UHFFFAOYSA-N
XLogP1.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 51292308
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 557216
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430660
2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 109442875
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 47128746) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(CNC(=O)C1CC2CCC1C2)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GBYJWTGMKPIOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(16-8-12-2-1-5-20-12)9-17-15(19)13-7-10-3-4-11(13)6-10/h1-2,5,10-11,13H,3-4,6-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47128746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).