2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H25NO3 — CID 61489531

IUPAC2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCCC(O)c1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H25NO3/c1-5-14(18)13-8-6-7-9-15(13)20-10-16(19)17-12(4)11(2)3/h6-9,11-12,14,18H,5,10H2,1-4H3,(H,17,19)
InChIKeyZBNWDMBVXOKHJQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.67
Rot. Bonds7

About 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489531) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489531
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCCC(O)c1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H25NO3/c1-5-14(18)13-8-6-7-9-15(13)20-10-16(19)17-12(4)11(2)3/h6-9,11-12,14,18H,5,10H2,1-4H3,(H,17,19)
InChIKeyZBNWDMBVXOKHJQ-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 55190392
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503572
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 55190391
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-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 61489531) is 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide is CCC(O)c1ccccc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ZBNWDMBVXOKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-14(18)13-8-6-7-9-15(13)20-10-16(19)17-12(4)11(2)3/h6-9,11-12,14,18H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).