N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide

C27H22N2O3 — CID 4162478

IUPACN-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2-c2nc3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C27H22N2O3/c1-2-18-11-14-20(15-12-18)31-17-25(30)28-23-10-6-5-9-22(23)27-29-26-21-8-4-3-7-19(21)13-16-24(26)32-27/h3-16H,2,17H2,1H3,(H,28,30)
InChIKeyRCJJSSOIIRUKFF-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.23
Rot. Bonds6

About N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide

N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide (PubChem CID 4162478) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide
PubChem CID4162478
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2-c2nc3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C27H22N2O3/c1-2-18-11-14-20(15-12-18)31-17-25(30)28-23-10-6-5-9-22(23)27-29-26-21-8-4-3-7-19(21)13-16-24(26)32-27/h3-16H,2,17H2,1H3,(H,28,30)
InChIKeyRCJJSSOIIRUKFF-UHFFFAOYSA-N
XLogP6.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 4116322
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 3581588
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide
CID 4188409
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
CID 40618366
2-(4-ethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113216
2-(4-ethylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097965
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 28865232
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide (CID 4162478) is N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccccc2-c2nc3c(ccc4ccccc43)o2)cc1.
What is the InChIKey of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is RCJJSSOIIRUKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-2-18-11-14-20(15-12-18)31-17-25(30)28-23-10-6-5-9-22(23)27-29-26-21-8-4-3-7-19(21)13-16-24(26)32-27/h3-16H,2,17H2,1H3,(H,28,30).
What are the key properties of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide?
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 422.48 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 4162478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).