2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

C25H24N2O3 — CID 54858705

IUPAC2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)c(C)c1
InChIInChI=1S/C25H24N2O3/c1-16-4-10-22(18(3)12-16)29-15-24(28)26-20-8-6-19(7-9-20)14-25-27-21-13-17(2)5-11-23(21)30-25/h4-13H,14-15H2,1-3H3,(H,26,28)
InChIKeySWKOFWSVVOHEFA-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.36
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54858705) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
PubChem CID54858705
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)c(C)c1
InChIInChI=1S/C25H24N2O3/c1-16-4-10-22(18(3)12-16)29-15-24(28)26-20-8-6-19(7-9-20)14-25-27-21-13-17(2)5-11-23(21)30-25/h4-13H,14-15H2,1-3H3,(H,26,28)
InChIKeySWKOFWSVVOHEFA-UHFFFAOYSA-N
XLogP5.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858713
2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357
2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54859022
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1362324
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 22829849
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54859006

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54858705) is 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
The InChIKey is SWKOFWSVVOHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16-4-10-22(18(3)12-16)29-15-24(28)26-20-8-6-19(7-9-20)14-25-27-21-13-17(2)5-11-23(21)30-25/h4-13H,14-15H2,1-3H3,(H,26,28).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54858705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).