N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

C19H20N2O4 — CID 110796038

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc3ncoc3c2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-6-4-14(10-18(16)24-2)11-19(22)20-8-7-13-3-5-15-17(9-13)25-12-21-15/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22)
InChIKeySOAFFXYEUAFPEK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 110796038) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID110796038
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc3ncoc3c2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-6-4-14(10-18(16)24-2)11-19(22)20-8-7-13-3-5-15-17(9-13)25-12-21-15/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22)
InChIKeySOAFFXYEUAFPEK-UHFFFAOYSA-N
XLogP2.75
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110771854
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 110796038) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2ccc3ncoc3c2)cc1OC.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is SOAFFXYEUAFPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-6-4-14(10-18(16)24-2)11-19(22)20-8-7-13-3-5-15-17(9-13)25-12-21-15/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 110796038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).