2-amino-N-(3-phenylprop-2-ynyl)acetamide

C11H12N2O — CID 112687685

IUPAC2-amino-N-(3-phenylprop-2-ynyl)acetamide
SMILESNCC(=O)NCC#Cc1ccccc1
InChIInChI=1S/C11H12N2O/c12-9-11(14)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,8-9,12H2,(H,13,14)
InChIKeyWEQOGYNXUJVXTJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.11
Rot. Bonds2

About 2-amino-N-(3-phenylprop-2-ynyl)acetamide

2-amino-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 112687685) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID112687685
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-amino-N-(3-phenylprop-2-ynyl)acetamide
SMILESNCC(=O)NCC#Cc1ccccc1
InChIInChI=1S/C11H12N2O/c12-9-11(14)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,8-9,12H2,(H,13,14)
InChIKeyWEQOGYNXUJVXTJ-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.11
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

2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655
2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454
N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51332685
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333
2-amino-N-[3-(3-phenyltriazol-4-yl)prop-2-ynyl]acetamide
CID 114777787
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615540
4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide
CID 90549829
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-amino-N-(3-phenylprop-2-ynyl)acetamide (CID 112687685) is 2-amino-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-amino-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-amino-N-(3-phenylprop-2-ynyl)acetamide is NCC(=O)NCC#Cc1ccccc1.
What is the InChIKey of 2-amino-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is WEQOGYNXUJVXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-9-11(14)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,8-9,12H2,(H,13,14).
What are the key properties of 2-amino-N-(3-phenylprop-2-ynyl)acetamide?
2-amino-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 112687685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).