prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate

C13H13NO3 — CID 47105963

IUPACprop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
SMILESC#CCOC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C13H13NO3/c1-2-8-17-13(16)10-14-12(15)9-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,14,15)
InChIKeyOKYNYSBSEWVQRX-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.52
Rot. Bonds5

About prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate

prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 47105963) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Nameprop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID47105963
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameprop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
SMILESC#CCOC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C13H13NO3/c1-2-8-17-13(16)10-14-12(15)9-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,14,15)
InChIKeyOKYNYSBSEWVQRX-UHFFFAOYSA-N
XLogP0.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523975
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
CID 174646519
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
prop-2-ynyl 2-acetamidoacetate
CID 131210561
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
prop-2-ynyl 2-(4-tert-butylphenyl)acetate
CID 71327616
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate (CID 47105963) is prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate is C#CCOC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is OKYNYSBSEWVQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-8-17-13(16)10-14-12(15)9-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,14,15).
What are the key properties of prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate?
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 231.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 47105963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).