N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide

C16H25NO3 — CID 78767914

IUPACN-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H25NO3/c1-5-10-19-14-8-6-7-9-15(14)20-11-16(18)17-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyZLWMTYHFGYRIOR-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide

N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide (PubChem CID 78767914) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
PubChem CID78767914
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H25NO3/c1-5-10-19-14-8-6-7-9-15(14)20-11-16(18)17-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyZLWMTYHFGYRIOR-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 76905153
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
CID 9477565

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide (CID 78767914) is N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide?
The InChIKey is ZLWMTYHFGYRIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-10-19-14-8-6-7-9-15(14)20-11-16(18)17-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide?
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide has a molecular weight of 279.38 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 78767914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).