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

C27H22N2O3 — CID 39380313

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c(C)c1
InChIInChI=1S/C27H22N2O3/c1-17-10-12-23(18(2)14-17)31-16-25(30)28-21-8-5-7-20(15-21)27-29-26-22-9-4-3-6-19(22)11-13-24(26)32-27/h3-15H,16H2,1-2H3,(H,28,30)
InChIKeyYHRFKLCFZLYITC-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.28
Rot. Bonds5

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

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 39380313) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID39380313
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c(C)c1
InChIInChI=1S/C27H22N2O3/c1-17-10-12-23(18(2)14-17)31-16-25(30)28-21-8-5-7-20(15-21)27-29-26-22-9-4-3-6-19(22)11-13-24(26)32-27/h3-15H,16H2,1-2H3,(H,28,30)
InChIKeyYHRFKLCFZLYITC-UHFFFAOYSA-N
XLogP6.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
CID 40618366
2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 1221790
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 1364193
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1362324
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
2-(2,4-dimethylphenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
CID 23962463
2-(3-methylphenyl)benzo[e][1,3]benzoxazole
CID 95911000
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
CID 3587754
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 39380313) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c(C)c1.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is YHRFKLCFZLYITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-17-10-12-23(18(2)14-17)31-16-25(30)28-21-8-5-7-20(15-21)27-29-26-22-9-4-3-6-19(22)11-13-24(26)32-27/h3-15H,16H2,1-2H3,(H,28,30).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 422.48 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 39380313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).