N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide

C15H20N2O3 — CID 107672151

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C15H20N2O3/c1-8-7-9(18)4-5-10(8)15(19)17-13-12(16)11-3-2-6-20-14(11)13/h4-5,7,11-14,18H,2-3,6,16H2,1H3,(H,17,19)
InChIKeySAIPPBVIQNHEKD-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.94
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide (PubChem CID 107672151) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
PubChem CID107672151
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C15H20N2O3/c1-8-7-9(18)4-5-10(8)15(19)17-13-12(16)11-3-2-6-20-14(11)13/h4-5,7,11-14,18H,2-3,6,16H2,1H3,(H,17,19)
InChIKeySAIPPBVIQNHEKD-UHFFFAOYSA-N
XLogP0.94
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide (CID 107672151) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide?
The InChIKey is SAIPPBVIQNHEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-8-7-9(18)4-5-10(8)15(19)17-13-12(16)11-3-2-6-20-14(11)13/h4-5,7,11-14,18H,2-3,6,16H2,1H3,(H,17,19).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107672151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).