2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide

C15H21NO — CID 14547763

IUPAC2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide
SMILESCC(C)(C)C(=O)NCC/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3,(H,16,17)/b11-7+
InChIKeyGUSDDCLTFXUQST-YRNVUSSQSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds4

About 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide

2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide (PubChem CID 14547763) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide
PubChem CID14547763
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide
SMILESCC(C)(C)C(=O)NCC/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3,(H,16,17)/b11-7+
InChIKeyGUSDDCLTFXUQST-YRNVUSSQSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(pentan-2-yl)-2-phenylacetamide
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N-Benzylacrylamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide (CID 14547763) is 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide is CC(C)(C)C(=O)NCC/C=C/c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide?
The InChIKey is GUSDDCLTFXUQST-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3,(H,16,17)/b11-7+.
What are the key properties of 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide?
2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide has a molecular weight of 231.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide is sourced from PubChem (CID 14547763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).