N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide

C17H23NO2 — CID 100944178

IUPACN-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(=O)CC)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H23NO2/c1-6-12-18(16(20)15(19)7-2)14-11-9-8-10-13(14)17(3,4)5/h6,8-11H,1,7,12H2,2-5H3
InChIKeyYLUMVXIFBVIUPS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.48
Rot. Bonds5

About N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide

N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide (PubChem CID 100944178) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide
PubChem CID100944178
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(=O)CC)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H23NO2/c1-6-12-18(16(20)15(19)7-2)14-11-9-8-10-13(14)17(3,4)5/h6,8-11H,1,7,12H2,2-5H3
InChIKeyYLUMVXIFBVIUPS-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide (CID 100944178) is N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide is C=CCN(C(=O)C(=O)CC)c1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide?
The InChIKey is YLUMVXIFBVIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-6-12-18(16(20)15(19)7-2)14-11-9-8-10-13(14)17(3,4)5/h6,8-11H,1,7,12H2,2-5H3.
What are the key properties of N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide?
N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 100944178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).