N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C18H18N2O5 — CID 2087553

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O5/c1-23-15-8-7-12(9-16(15)24-2)10-19-17(21)11-20-13-5-3-4-6-14(13)25-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyUYELGGKIEQGAPW-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.93
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 2087553) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID2087553
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O5/c1-23-15-8-7-12(9-16(15)24-2)10-19-17(21)11-20-13-5-3-4-6-14(13)25-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyUYELGGKIEQGAPW-UHFFFAOYSA-N
XLogP1.93
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 2087553) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is UYELGGKIEQGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-15-8-7-12(9-16(15)24-2)10-19-17(21)11-20-13-5-3-4-6-14(13)25-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 2087553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).