N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

C21H27NO2 — CID 19170892

IUPACN-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCC(C)CNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-16(2)14-22-20(23)15-24-19-12-10-18(11-13-19)21(3,4)17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,22,23)
InChIKeyQONPZLMVTZPUTG-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.16
Rot. Bonds7

About N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (PubChem CID 19170892) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
PubChem CID19170892
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCC(C)CNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-16(2)14-22-20(23)15-24-19-12-10-18(11-13-19)21(3,4)17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,22,23)
InChIKeyQONPZLMVTZPUTG-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139
N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (CID 19170892) is N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is CC(C)CNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The InChIKey is QONPZLMVTZPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16(2)14-22-20(23)15-24-19-12-10-18(11-13-19)21(3,4)17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,22,23).
What are the key properties of N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19170892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).