N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide

C13H17NO — CID 67094123

IUPACN-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(C(C)=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-10(2)9-14(12(4)15)13-7-5-11(3)6-8-13/h5-8H,1,9H2,2-4H3
InChIKeyNCOLWUYQHKFLDX-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.92
Rot. Bonds3

About N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide

N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 67094123) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID67094123
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(C(C)=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-10(2)9-14(12(4)15)13-7-5-11(3)6-8-13/h5-8H,1,9H2,2-4H3
InChIKeyNCOLWUYQHKFLDX-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide (CID 67094123) is N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(C(C)=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is NCOLWUYQHKFLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)9-14(12(4)15)13-7-5-11(3)6-8-13/h5-8H,1,9H2,2-4H3.
What are the key properties of N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide?
N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 203.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 67094123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).