N-(2-prop-2-ynylphenyl)acetamide

C11H11NO — CID 57178754

IUPACN-(2-prop-2-ynylphenyl)acetamide
SMILESC#CCc1ccccc1NC(C)=O
InChIInChI=1S/C11H11NO/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h1,4-5,7-8H,6H2,2H3,(H,12,13)
InChIKeyFCBHBKGGWHWYRT-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.82
Rot. Bonds2

About N-(2-prop-2-ynylphenyl)acetamide

N-(2-prop-2-ynylphenyl)acetamide (PubChem CID 57178754) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(2-prop-2-ynylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-prop-2-ynylphenyl)acetamide
PubChem CID57178754
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-(2-prop-2-ynylphenyl)acetamide
SMILESC#CCc1ccccc1NC(C)=O
InChIInChI=1S/C11H11NO/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h1,4-5,7-8H,6H2,2H3,(H,12,13)
InChIKeyFCBHBKGGWHWYRT-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
prop-2-ynyl N-(2-ethylphenyl)carbamate
CID 91733300

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylphenyl)acetamide?
The IUPAC name of N-(2-prop-2-ynylphenyl)acetamide (CID 57178754) is N-(2-prop-2-ynylphenyl)acetamide.
What is the SMILES notation for N-(2-prop-2-ynylphenyl)acetamide?
The canonical SMILES for N-(2-prop-2-ynylphenyl)acetamide is C#CCc1ccccc1NC(C)=O.
What is the InChIKey of N-(2-prop-2-ynylphenyl)acetamide?
The InChIKey is FCBHBKGGWHWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h1,4-5,7-8H,6H2,2H3,(H,12,13).
What are the key properties of N-(2-prop-2-ynylphenyl)acetamide?
N-(2-prop-2-ynylphenyl)acetamide has a molecular weight of 173.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynylphenyl)acetamide is sourced from PubChem (CID 57178754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).