4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide

C17H23NO2 — CID 110297944

IUPAC4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-5-12-18-16(20)11-10-15(19)13-6-8-14(9-7-13)17(2,3)4/h5-9H,1,10-12H2,2-4H3,(H,18,20)
InChIKeyGQHVYLNNGNYNON-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.25
Rot. Bonds6

About 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide

4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide (PubChem CID 110297944) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
PubChem CID110297944
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-5-12-18-16(20)11-10-15(19)13-6-8-14(9-7-13)17(2,3)4/h5-9H,1,10-12H2,2-4H3,(H,18,20)
InChIKeyGQHVYLNNGNYNON-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
1-(4-tert-butylphenyl)hex-5-en-1-one
CID 114974758
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
[(2R,3R)-3-(4-tert-butylbenzoyl)oxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] 4-tert-butylbenzoate
CID 58957957
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
4-(2-bromo-4-tert-butylphenoxy)-N-prop-2-enylbutanamide
CID 19201321
4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735
tert-butyl 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 172638936

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide (CID 110297944) is 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide?
The InChIKey is GQHVYLNNGNYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-12-18-16(20)11-10-15(19)13-6-8-14(9-7-13)17(2,3)4/h5-9H,1,10-12H2,2-4H3,(H,18,20).
What are the key properties of 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide?
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 110297944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).