N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C21H27NO2 — CID 17093188

IUPACN-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-6-21(4,5)17-8-10-18(11-9-17)24-14-20(23)22-19-12-7-15(2)13-16(19)3/h7-13H,6,14H2,1-5H3,(H,22,23)
InChIKeyRNMUBECLKSKCMZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.01
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17093188) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17093188
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-6-21(4,5)17-8-10-18(11-9-17)24-14-20(23)22-19-12-7-15(2)13-16(19)3/h7-13H,6,14H2,1-5H3,(H,22,23)
InChIKeyRNMUBECLKSKCMZ-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
CID 17093328
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093280
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695217
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 9252593

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17093188) is N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is RNMUBECLKSKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-21(4,5)17-8-10-18(11-9-17)24-14-20(23)22-19-12-7-15(2)13-16(19)3/h7-13H,6,14H2,1-5H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 325.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17093188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).