N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide

C14H18N2O5 — CID 131974418

IUPACN-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide
SMILESCOc1cc(N2CC(NC(C)=O)C2=O)cc(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-8(17)15-10-7-16(14(10)18)9-5-11(19-2)13(21-4)12(6-9)20-3/h5-6,10H,7H2,1-4H3,(H,15,17)
InChIKeyNJVGYLBBVQUKKX-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.56
Rot. Bonds5

About N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide

N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide (PubChem CID 131974418) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide
PubChem CID131974418
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide
SMILESCOc1cc(N2CC(NC(C)=O)C2=O)cc(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-8(17)15-10-7-16(14(10)18)9-5-11(19-2)13(21-4)12(6-9)20-3/h5-6,10H,7H2,1-4H3,(H,15,17)
InChIKeyNJVGYLBBVQUKKX-UHFFFAOYSA-N
XLogP0.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide?
The IUPAC name of N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide (CID 131974418) is N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide.
What is the SMILES notation for N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide?
The canonical SMILES for N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide is COc1cc(N2CC(NC(C)=O)C2=O)cc(OC)c1OC.
What is the InChIKey of N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide?
The InChIKey is NJVGYLBBVQUKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8(17)15-10-7-16(14(10)18)9-5-11(19-2)13(21-4)12(6-9)20-3/h5-6,10H,7H2,1-4H3,(H,15,17).
What are the key properties of N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide?
N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 131974418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).