N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide

C13H20N2O2 — CID 99978713

IUPACN-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc([C@H]2CCCCCN2)o1
InChIInChI=1S/C13H20N2O2/c1-10(16)15-9-11-6-7-13(17-11)12-5-3-2-4-8-14-12/h6-7,12,14H,2-5,8-9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyIWFONKNXPHCYAZ-GFCCVEGCSA-N
MW236.31 g/mol
LogP2.12
Rot. Bonds3

About N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide

N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide (PubChem CID 99978713) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide
PubChem CID99978713
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc([C@H]2CCCCCN2)o1
InChIInChI=1S/C13H20N2O2/c1-10(16)15-9-11-6-7-13(17-11)12-5-3-2-4-8-14-12/h6-7,12,14H,2-5,8-9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyIWFONKNXPHCYAZ-GFCCVEGCSA-N
XLogP2.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide (CID 99978713) is N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc([C@H]2CCCCCN2)o1.
What is the InChIKey of N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide?
The InChIKey is IWFONKNXPHCYAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)15-9-11-6-7-13(17-11)12-5-3-2-4-8-14-12/h6-7,12,14H,2-5,8-9H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide?
N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 99978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).