N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide

C21H27NO2 — CID 17328368

IUPACN-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCC(NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-5-19(17-12-10-16(4)11-13-17)22-21(23)14-24-20-9-7-6-8-18(20)15(2)3/h6-13,15,19H,5,14H2,1-4H3,(H,22,23)
InChIKeyFQZZKJNLWDEAOS-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.76
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 17328368) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID17328368
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCC(NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-5-19(17-12-10-16(4)11-13-17)22-21(23)14-24-20-9-7-6-8-18(20)15(2)3/h6-13,15,19H,5,14H2,1-4H3,(H,22,23)
InChIKeyFQZZKJNLWDEAOS-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
(3S)-3-(4-chlorophenyl)-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 7045006
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100681308
2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7763232
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 8752279
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 17328368) is N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide is CCC(NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is FQZZKJNLWDEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-19(17-12-10-16(4)11-13-17)22-21(23)14-24-20-9-7-6-8-18(20)15(2)3/h6-13,15,19H,5,14H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17328368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).