2-acetamido-N-(3-ethynylphenyl)acetamide

C12H12N2O2 — CID 47147171

IUPAC2-acetamido-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CNC(C)=O)c1
InChIInChI=1S/C12H12N2O2/c1-3-10-5-4-6-11(7-10)14-12(16)8-13-9(2)15/h1,4-7H,8H2,2H3,(H,13,15)(H,14,16)
InChIKeyWFBMEPDMOGSJIY-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.74
Rot. Bonds3

About 2-acetamido-N-(3-ethynylphenyl)acetamide

2-acetamido-N-(3-ethynylphenyl)acetamide (PubChem CID 47147171) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-acetamido-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(3-ethynylphenyl)acetamide
PubChem CID47147171
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-acetamido-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CNC(C)=O)c1
InChIInChI=1S/C12H12N2O2/c1-3-10-5-4-6-11(7-10)14-12(16)8-13-9(2)15/h1,4-7H,8H2,2H3,(H,13,15)(H,14,16)
InChIKeyWFBMEPDMOGSJIY-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
N-(3-ethynylphenyl)-2-[[3-(2-phenylethynyl)phenyl]carbamoylamino]acetamide
CID 112838330
N-[3-[(3-ethynylphenyl)carbamoylamino]propyl]acetamide
CID 47033358
2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide
CID 47294974
N-[3-[[2-(3-ethynylanilino)-2-oxoethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 51090668
N-[2-(3-ethynylanilino)ethyl]acetamide
CID 107529030
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
CID 51962961
N-(3-ethynylphenyl)-2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]acetamide
CID 111136057
N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 55836547
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-(3-ethynylphenyl)acetamide
CID 110990859

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-acetamido-N-(3-ethynylphenyl)acetamide (CID 47147171) is 2-acetamido-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-acetamido-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)CNC(C)=O)c1.
What is the InChIKey of 2-acetamido-N-(3-ethynylphenyl)acetamide?
The InChIKey is WFBMEPDMOGSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-10-5-4-6-11(7-10)14-12(16)8-13-9(2)15/h1,4-7H,8H2,2H3,(H,13,15)(H,14,16).
What are the key properties of 2-acetamido-N-(3-ethynylphenyl)acetamide?
2-acetamido-N-(3-ethynylphenyl)acetamide has a molecular weight of 216.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 47147171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).