N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide

C23H24N2O2 — CID 54768933

IUPACN-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2/c26-23(18-8-7-16-4-1-2-5-17(16)12-18)24-19-13-20-9-10-21(14-19)25(20)15-22-6-3-11-27-22/h1-8,11-12,19-21H,9-10,13-15H2,(H,24,26)/t19?,20-,21+
InChIKeyIILPLAOABJATAZ-SEJPIABJSA-N
MW360.46 g/mol
LogP4.36
Rot. Bonds4

About N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide

N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (PubChem CID 54768933) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
PubChem CID54768933
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2/c26-23(18-8-7-16-4-1-2-5-17(16)12-18)24-19-13-20-9-10-21(14-19)25(20)15-22-6-3-11-27-22/h1-8,11-12,19-21H,9-10,13-15H2,(H,24,26)/t19?,20-,21+
InChIKeyIILPLAOABJATAZ-SEJPIABJSA-N
XLogP4.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (CID 54768933) is N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The InChIKey is IILPLAOABJATAZ-SEJPIABJSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(18-8-7-16-4-1-2-5-17(16)12-18)24-19-13-20-9-10-21(14-19)25(20)15-22-6-3-11-27-22/h1-8,11-12,19-21H,9-10,13-15H2,(H,24,26)/t19?,20-,21+.
What are the key properties of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 54768933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).