N-[2-(2-methylprop-2-enyl)phenyl]acetamide

C12H15NO — CID 102600118

IUPACN-[2-(2-methylprop-2-enyl)phenyl]acetamide
SMILESC=C(C)Cc1ccccc1NC(C)=O
InChIInChI=1S/C12H15NO/c1-9(2)8-11-6-4-5-7-12(11)13-10(3)14/h4-7H,1,8H2,2-3H3,(H,13,14)
InChIKeyFKDDZLATZXXXTK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds3

About N-[2-(2-methylprop-2-enyl)phenyl]acetamide

N-[2-(2-methylprop-2-enyl)phenyl]acetamide (PubChem CID 102600118) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enyl)phenyl]acetamide
PubChem CID102600118
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[2-(2-methylprop-2-enyl)phenyl]acetamide
SMILESC=C(C)Cc1ccccc1NC(C)=O
InChIInChI=1S/C12H15NO/c1-9(2)8-11-6-4-5-7-12(11)13-10(3)14/h4-7H,1,8H2,2-3H3,(H,13,14)
InChIKeyFKDDZLATZXXXTK-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enyl)phenyl]acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enyl)phenyl]acetamide (CID 102600118) is N-[2-(2-methylprop-2-enyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enyl)phenyl]acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enyl)phenyl]acetamide is C=C(C)Cc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-(2-methylprop-2-enyl)phenyl]acetamide?
The InChIKey is FKDDZLATZXXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)8-11-6-4-5-7-12(11)13-10(3)14/h4-7H,1,8H2,2-3H3,(H,13,14).
What are the key properties of N-[2-(2-methylprop-2-enyl)phenyl]acetamide?
N-[2-(2-methylprop-2-enyl)phenyl]acetamide has a molecular weight of 189.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enyl)phenyl]acetamide is sourced from PubChem (CID 102600118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).