2-(3-propan-2-ylphenoxy)-N-propylacetamide

C14H21NO2 — CID 60624182

IUPAC2-(3-propan-2-ylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-4-8-15-14(16)10-17-13-7-5-6-12(9-13)11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyRGRBWSYYEFHDEY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.71
Rot. Bonds6

About 2-(3-propan-2-ylphenoxy)-N-propylacetamide

2-(3-propan-2-ylphenoxy)-N-propylacetamide (PubChem CID 60624182) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-N-propylacetamide
PubChem CID60624182
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3-propan-2-ylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-4-8-15-14(16)10-17-13-7-5-6-12(9-13)11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyRGRBWSYYEFHDEY-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119394347
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-N-propylacetamide (CID 60624182) is 2-(3-propan-2-ylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-N-propylacetamide is CCCNC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-N-propylacetamide?
The InChIKey is RGRBWSYYEFHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-8-15-14(16)10-17-13-7-5-6-12(9-13)11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-propan-2-ylphenoxy)-N-propylacetamide?
2-(3-propan-2-ylphenoxy)-N-propylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-N-propylacetamide is sourced from PubChem (CID 60624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).