N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H27NO4 — CID 122243927

IUPACN-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOCC(C)(CNC(=O)COc1ccc(C(C)C)cc1)OC
InChIInChI=1S/C17H27NO4/c1-13(2)14-6-8-15(9-7-14)22-10-16(19)18-11-17(3,21-5)12-20-4/h6-9,13H,10-12H2,1-5H3,(H,18,19)
InChIKeySKMRAAQLEIIRIX-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.36
Rot. Bonds9

About N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 122243927) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID122243927
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC NameN-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOCC(C)(CNC(=O)COc1ccc(C(C)C)cc1)OC
InChIInChI=1S/C17H27NO4/c1-13(2)14-6-8-15(9-7-14)22-10-16(19)18-11-17(3,21-5)12-20-4/h6-9,13H,10-12H2,1-5H3,(H,18,19)
InChIKeySKMRAAQLEIIRIX-UHFFFAOYSA-N
XLogP2.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)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

2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
CID 122243919
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81339847
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492639

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 122243927) is N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide is COCC(C)(CNC(=O)COc1ccc(C(C)C)cc1)OC.
What is the InChIKey of N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is SKMRAAQLEIIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-13(2)14-6-8-15(9-7-14)22-10-16(19)18-11-17(3,21-5)12-20-4/h6-9,13H,10-12H2,1-5H3,(H,18,19).
What are the key properties of N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 122243927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).