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

C14H19NO — CID 170798132

IUPAC4-(4-tert-butylphenyl)but-3-enamide
SMILESCC(C)(C)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C14H19NO/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h4-5,7-10H,6H2,1-3H3,(H2,15,16)
InChIKeyYMDNIHXMWQFMEW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds3

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

4-(4-tert-butylphenyl)but-3-enamide (PubChem CID 170798132) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)but-3-enamide
PubChem CID170798132
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(4-tert-butylphenyl)but-3-enamide
SMILESCC(C)(C)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C14H19NO/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h4-5,7-10H,6H2,1-3H3,(H2,15,16)
InChIKeyYMDNIHXMWQFMEW-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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Related Compounds

4-(3-tert-butylphenyl)but-3-enamide
CID 170798133
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
(E)-6-(4-tert-butylphenyl)hex-5-enoic acid
CID 95457618
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)but-3-enamide?
The IUPAC name of 4-(4-tert-butylphenyl)but-3-enamide (CID 170798132) is 4-(4-tert-butylphenyl)but-3-enamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)but-3-enamide?
The canonical SMILES for 4-(4-tert-butylphenyl)but-3-enamide is CC(C)(C)c1ccc(C=CCC(N)=O)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)but-3-enamide?
The InChIKey is YMDNIHXMWQFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h4-5,7-10H,6H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-tert-butylphenyl)but-3-enamide?
4-(4-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-(4-tert-butylphenyl)but-3-enamide is sourced from PubChem (CID 170798132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).