4-phenyl-N-propylbut-2-enamide

C13H17NO — CID 154634438

IUPAC4-phenyl-N-propylbut-2-enamide
SMILESCCCNC(=O)C=CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h3-8,10H,2,9,11H2,1H3,(H,14,15)
InChIKeyLLMZRWYJXADMLP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds5

About 4-phenyl-N-propylbut-2-enamide

4-phenyl-N-propylbut-2-enamide (PubChem CID 154634438) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-phenyl-N-propylbut-2-enamide.

Molecular Properties

Compound Name4-phenyl-N-propylbut-2-enamide
PubChem CID154634438
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-phenyl-N-propylbut-2-enamide
SMILESCCCNC(=O)C=CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h3-8,10H,2,9,11H2,1H3,(H,14,15)
InChIKeyLLMZRWYJXADMLP-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-phenylbut-2-enamide
CID 154634439
7-phenyl-N-propylhepta-2,4-dienamide
CID 123644978
(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
CID 10332407
N-propylhex-2-enamide
CID 88538823
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(Z)-4-phenylbut-2-enoyl chloride
CID 176872561
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N'-benzyl-N-propylpropanediamide
CID 108940601
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propylbut-2-enamide?
The IUPAC name of 4-phenyl-N-propylbut-2-enamide (CID 154634438) is 4-phenyl-N-propylbut-2-enamide.
What is the SMILES notation for 4-phenyl-N-propylbut-2-enamide?
The canonical SMILES for 4-phenyl-N-propylbut-2-enamide is CCCNC(=O)C=CCc1ccccc1.
What is the InChIKey of 4-phenyl-N-propylbut-2-enamide?
The InChIKey is LLMZRWYJXADMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h3-8,10H,2,9,11H2,1H3,(H,14,15).
What are the key properties of 4-phenyl-N-propylbut-2-enamide?
4-phenyl-N-propylbut-2-enamide has a molecular weight of 203.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propylbut-2-enamide is sourced from PubChem (CID 154634438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).