4-(3-tert-butylphenyl)but-3-enamide

C14H19NO — CID 170798133

IUPAC4-(3-tert-butylphenyl)but-3-enamide
SMILESCC(C)(C)c1cccc(C=CCC(N)=O)c1
InChIInChI=1S/C14H19NO/c1-14(2,3)12-8-4-6-11(10-12)7-5-9-13(15)16/h4-8,10H,9H2,1-3H3,(H2,15,16)
InChIKeyPSWNHSSHVYORBG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds3

About 4-(3-tert-butylphenyl)but-3-enamide

4-(3-tert-butylphenyl)but-3-enamide (PubChem CID 170798133) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)but-3-enamide
PubChem CID170798133
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(3-tert-butylphenyl)but-3-enamide
SMILESCC(C)(C)c1cccc(C=CCC(N)=O)c1
InChIInChI=1S/C14H19NO/c1-14(2,3)12-8-4-6-11(10-12)7-5-9-13(15)16/h4-8,10H,9H2,1-3H3,(H2,15,16)
InChIKeyPSWNHSSHVYORBG-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)but-3-enamide?
The IUPAC name of 4-(3-tert-butylphenyl)but-3-enamide (CID 170798133) is 4-(3-tert-butylphenyl)but-3-enamide.
What is the SMILES notation for 4-(3-tert-butylphenyl)but-3-enamide?
The canonical SMILES for 4-(3-tert-butylphenyl)but-3-enamide is CC(C)(C)c1cccc(C=CCC(N)=O)c1.
What is the InChIKey of 4-(3-tert-butylphenyl)but-3-enamide?
The InChIKey is PSWNHSSHVYORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)12-8-4-6-11(10-12)7-5-9-13(15)16/h4-8,10H,9H2,1-3H3,(H2,15,16).
What are the key properties of 4-(3-tert-butylphenyl)but-3-enamide?
4-(3-tert-butylphenyl)but-3-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)but-3-enamide is sourced from PubChem (CID 170798133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).