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

C24H22N2O4 — CID 135843357

IUPAC2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c(C)c1
InChIInChI=1S/C24H22N2O4/c1-14-4-8-21(16(3)10-14)29-13-23(28)25-17-6-7-20(27)18(12-17)24-26-19-11-15(2)5-9-22(19)30-24/h4-12,27H,13H2,1-3H3,(H,25,28)
InChIKeyURAWSYZJRANILG-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.14
Rot. Bonds5

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

2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 135843357) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID135843357
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c(C)c1
InChIInChI=1S/C24H22N2O4/c1-14-4-8-21(16(3)10-14)29-13-23(28)25-17-6-7-20(27)18(12-17)24-26-19-11-15(2)5-9-22(19)30-24/h4-12,27H,13H2,1-3H3,(H,25,28)
InChIKeyURAWSYZJRANILG-UHFFFAOYSA-N
XLogP5.14
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135625532
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 2282003
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1362324
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 136794414
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 136794425
2-(4-tert-butylphenoxy)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721135
N-[[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 137156664
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate
CID 21211864
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 135843357) is 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is URAWSYZJRANILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-14-4-8-21(16(3)10-14)29-13-23(28)25-17-6-7-20(27)18(12-17)24-26-19-11-15(2)5-9-22(19)30-24/h4-12,27H,13H2,1-3H3,(H,25,28).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 135843357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).