N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide

C17H24FNO — CID 142120872

IUPACN-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide
SMILESC=CC(C)(C)C(=O)N(c1ccc(F)c(C)c1)C(C)CC
InChIInChI=1S/C17H24FNO/c1-7-13(4)19(16(20)17(5,6)8-2)14-9-10-15(18)12(3)11-14/h8-11,13H,2,7H2,1,3-6H3
InChIKeyMUWPTGJRRMMSFA-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.48
Rot. Bonds5

About N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide

N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide (PubChem CID 142120872) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide
PubChem CID142120872
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide
SMILESC=CC(C)(C)C(=O)N(c1ccc(F)c(C)c1)C(C)CC
InChIInChI=1S/C17H24FNO/c1-7-13(4)19(16(20)17(5,6)8-2)14-9-10-15(18)12(3)11-14/h8-11,13H,2,7H2,1,3-6H3
InChIKeyMUWPTGJRRMMSFA-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.48
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-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide?
The IUPAC name of N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide (CID 142120872) is N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide.
What is the SMILES notation for N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide?
The canonical SMILES for N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide is C=CC(C)(C)C(=O)N(c1ccc(F)c(C)c1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide?
The InChIKey is MUWPTGJRRMMSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-7-13(4)19(16(20)17(5,6)8-2)14-9-10-15(18)12(3)11-14/h8-11,13H,2,7H2,1,3-6H3.
What are the key properties of N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide?
N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide has a molecular weight of 277.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide is sourced from PubChem (CID 142120872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).