N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide

C13H16N2O3 — CID 43503572

IUPACN-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCC(O)c1ccccc1OCC(=O)NCC#N
InChIInChI=1S/C13H16N2O3/c1-2-11(16)10-5-3-4-6-12(10)18-9-13(17)15-8-7-14/h3-6,11,16H,2,8-9H2,1H3,(H,15,17)
InChIKeyMYKCROPIENOOBV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.15
Rot. Bonds6

About N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide

N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide (PubChem CID 43503572) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
PubChem CID43503572
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCC(O)c1ccccc1OCC(=O)NCC#N
InChIInChI=1S/C13H16N2O3/c1-2-11(16)10-5-3-4-6-12(10)18-9-13(17)15-8-7-14/h3-6,11,16H,2,8-9H2,1H3,(H,15,17)
InChIKeyMYKCROPIENOOBV-UHFFFAOYSA-N
XLogP1.15
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 55190391
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]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438801

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide (CID 43503572) is N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide is CCC(O)c1ccccc1OCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide?
The InChIKey is MYKCROPIENOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-11(16)10-5-3-4-6-12(10)18-9-13(17)15-8-7-14/h3-6,11,16H,2,8-9H2,1H3,(H,15,17).
What are the key properties of N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide?
N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide is sourced from PubChem (CID 43503572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).