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

C15H20N2O3 — CID 66211922

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2C(N)C3CCCOC32)cc1
InChIInChI=1S/C15H20N2O3/c1-19-10-6-4-9(5-7-10)15(18)17-13-12(16)11-3-2-8-20-14(11)13/h4-7,11-14H,2-3,8,16H2,1H3,(H,17,18)
InChIKeyOHKONFRKYYQKSN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.93
Rot. Bonds3

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide (PubChem CID 66211922) 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-methoxybenzamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide
PubChem CID66211922
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2C(N)C3CCCOC32)cc1
InChIInChI=1S/C15H20N2O3/c1-19-10-6-4-9(5-7-10)15(18)17-13-12(16)11-3-2-8-20-14(11)13/h4-7,11-14H,2-3,8,16H2,1H3,(H,17,18)
InChIKeyOHKONFRKYYQKSN-UHFFFAOYSA-N
XLogP0.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-hydroxy-4-methoxybenzamide
CID 66195157
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
CID 66195367
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
CID 66212704
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide
CID 66212891
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-ethoxybenzamide
CID 66211142
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-chloro-2-methylbenzamide
CID 107098242

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide (CID 66211922) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2C(N)C3CCCOC32)cc1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide?
The InChIKey is OHKONFRKYYQKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-10-6-4-9(5-7-10)15(18)17-13-12(16)11-3-2-8-20-14(11)13/h4-7,11-14H,2-3,8,16H2,1H3,(H,17,18).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 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-methoxybenzamide is sourced from PubChem (CID 66211922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).