N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide

C22H26N2O3 — CID 113095232

IUPACN-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)Cc2cccc(C)c2)C2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-4-3-5-18(14-16)15-22(26)24(21-10-12-27-13-11-21)20-8-6-19(7-9-20)23-17(2)25/h3-9,14,21H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyOHDBJNXTHRRPHW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.71
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide

N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide (PubChem CID 113095232) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
PubChem CID113095232
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)Cc2cccc(C)c2)C2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-4-3-5-18(14-16)15-22(26)24(21-10-12-27-13-11-21)20-8-6-19(7-9-20)23-17(2)25/h3-9,14,21H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyOHDBJNXTHRRPHW-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)-2-phenylacetamide
CID 113094790
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide
CID 138030868
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide (CID 113095232) is N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide is CC(=O)Nc1ccc(N(C(=O)Cc2cccc(C)c2)C2CCOCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
The InChIKey is OHDBJNXTHRRPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-4-3-5-18(14-16)15-22(26)24(21-10-12-27-13-11-21)20-8-6-19(7-9-20)23-17(2)25/h3-9,14,21H,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 113095232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).