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

C20H24N2O3 — CID 54772067

IUPACN-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1
InChIInChI=1S/C20H24N2O3/c1-24-19-7-3-2-6-18(19)20(23)21-14-11-15-8-9-16(12-14)22(15)13-17-5-4-10-25-17/h2-7,10,14-16H,8-9,11-13H2,1H3,(H,21,23)/t14?,15-,16+
InChIKeyCFSCHFKQAOMNAI-MQVJKMGUSA-N
MW340.42 g/mol
LogP3.21
Rot. Bonds5

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

N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide (PubChem CID 54772067) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
PubChem CID54772067
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1
InChIInChI=1S/C20H24N2O3/c1-24-19-7-3-2-6-18(19)20(23)21-14-11-15-8-9-16(12-14)22(15)13-17-5-4-10-25-17/h2-7,10,14-16H,8-9,11-13H2,1H3,(H,21,23)/t14?,15-,16+
InChIKeyCFSCHFKQAOMNAI-MQVJKMGUSA-N
XLogP3.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide (CID 54772067) is N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1.
What is the InChIKey of N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
The InChIKey is CFSCHFKQAOMNAI-MQVJKMGUSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-7-3-2-6-18(19)20(23)21-14-11-15-8-9-16(12-14)22(15)13-17-5-4-10-25-17/h2-7,10,14-16H,8-9,11-13H2,1H3,(H,21,23)/t14?,15-,16+.
What are the key properties of N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 54772067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).