2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide

C14H19NO3 — CID 43504554

IUPAC2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C(O)CC)cc1
InChIInChI=1S/C14H19NO3/c1-3-9-15-14(17)10-18-12-7-5-11(6-8-12)13(16)4-2/h3,5-8,13,16H,1,4,9-10H2,2H3,(H,15,17)
InChIKeySVCXWOUDCYSBSZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.81
Rot. Bonds7

About 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide

2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 43504554) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
PubChem CID43504554
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C(O)CC)cc1
InChIInChI=1S/C14H19NO3/c1-3-9-15-14(17)10-18-12-7-5-11(6-8-12)13(16)4-2/h3,5-8,13,16H,1,4,9-10H2,2H3,(H,15,17)
InChIKeySVCXWOUDCYSBSZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
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-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 86919939
2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 111439460
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide (CID 43504554) is 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(C(O)CC)cc1.
What is the InChIKey of 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is SVCXWOUDCYSBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-9-15-14(17)10-18-12-7-5-11(6-8-12)13(16)4-2/h3,5-8,13,16H,1,4,9-10H2,2H3,(H,15,17).
What are the key properties of 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide?
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 43504554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).