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

C18H18N2O5 — CID 4142443

IUPACN-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cn2c(=O)oc3ccccc32)c(OC)c1
InChIInChI=1S/C18H18N2O5/c1-19(13-9-8-12(23-2)10-16(13)24-3)17(21)11-20-14-6-4-5-7-15(14)25-18(20)22/h4-10H,11H2,1-3H3
InChIKeyUINXAYRXCAGDLY-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.27
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4142443) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4142443
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cn2c(=O)oc3ccccc32)c(OC)c1
InChIInChI=1S/C18H18N2O5/c1-19(13-9-8-12(23-2)10-16(13)24-3)17(21)11-20-14-6-4-5-7-15(14)25-18(20)22/h4-10H,11H2,1-3H3
InChIKeyUINXAYRXCAGDLY-UHFFFAOYSA-N
XLogP2.27
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4142443) is N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccc(N(C)C(=O)Cn2c(=O)oc3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is UINXAYRXCAGDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-19(13-9-8-12(23-2)10-16(13)24-3)17(21)11-20-14-6-4-5-7-15(14)25-18(20)22/h4-10H,11H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4142443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).