2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide

C13H14N2O3 — CID 9017984

IUPAC2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccccc1NC(C)=O
InChIInChI=1S/C13H14N2O3/c1-3-8-14-13(17)9-18-12-7-5-4-6-11(12)15-10(2)16/h1,4-7H,8-9H2,2H3,(H,14,17)(H,15,16)
InChIKeyZANWBWBDHOBUFY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.77
Rot. Bonds5

About 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide

2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide (PubChem CID 9017984) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
PubChem CID9017984
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccccc1NC(C)=O
InChIInChI=1S/C13H14N2O3/c1-3-8-14-13(17)9-18-12-7-5-4-6-11(12)15-10(2)16/h1,4-7H,8-9H2,2H3,(H,14,17)(H,15,16)
InChIKeyZANWBWBDHOBUFY-UHFFFAOYSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 55190391
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 9018049
2-(2-acetamidophenoxy)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide
CID 9017993
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
CID 24698009
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide (CID 9017984) is 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccccc1NC(C)=O.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide?
The InChIKey is ZANWBWBDHOBUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-8-14-13(17)9-18-12-7-5-4-6-11(12)15-10(2)16/h1,4-7H,8-9H2,2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide?
2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide has a molecular weight of 246.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide is sourced from PubChem (CID 9017984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).