2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H25NO3 — CID 63365734

IUPAC2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC[C@@H](O)c1ccc(OCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-5-15(18)13-6-8-14(9-7-13)20-10-16(19)17-12(4)11(2)3/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,17,19)/t12?,15-/m1/s1
InChIKeyOWAHWAFIMJDAJT-WPZCJLIBSA-N
MW279.38 g/mol
LogP2.67
Rot. Bonds7

About 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 63365734) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID63365734
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC[C@@H](O)c1ccc(OCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-5-15(18)13-6-8-14(9-7-13)20-10-16(19)17-12(4)11(2)3/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,17,19)/t12?,15-/m1/s1
InChIKeyOWAHWAFIMJDAJT-WPZCJLIBSA-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-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 63365734) is 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is CC[C@@H](O)c1ccc(OCC(=O)NC(C)C(C)C)cc1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is OWAHWAFIMJDAJT-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-15(18)13-6-8-14(9-7-13)20-10-16(19)17-12(4)11(2)3/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,17,19)/t12?,15-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[4-[(1R)-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-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63365734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).