N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide

C14H18N2O3 — CID 107672150

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC2C(N)C3CCOC32)ccc1O
InChIInChI=1S/C14H18N2O3/c1-7-6-8(2-3-10(7)17)14(18)16-12-11(15)9-4-5-19-13(9)12/h2-3,6,9,11-13,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyIVNCGLUEYMEKPD-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide (PubChem CID 107672150) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
PubChem CID107672150
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC2C(N)C3CCOC32)ccc1O
InChIInChI=1S/C14H18N2O3/c1-7-6-8(2-3-10(7)17)14(18)16-12-11(15)9-4-5-19-13(9)12/h2-3,6,9,11-13,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyIVNCGLUEYMEKPD-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide (CID 107672150) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC2C(N)C3CCOC32)ccc1O.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide?
The InChIKey is IVNCGLUEYMEKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-7-6-8(2-3-10(7)17)14(18)16-12-11(15)9-4-5-19-13(9)12/h2-3,6,9,11-13,17H,4-5,15H2,1H3,(H,16,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107672150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).