N-[(E)-but-2-enyl]-N-phenylpropanamide

C13H17NO — CID 134899700

IUPACN-[(E)-but-2-enyl]-N-phenylpropanamide
SMILESC/C=C/CN(C(=O)CC)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h3,5-10H,4,11H2,1-2H3/b5-3+
InChIKeyZNXVSRBDBOJUMA-HWKANZROSA-N
MW203.28 g/mol
LogP3.01
Rot. Bonds4

About N-[(E)-but-2-enyl]-N-phenylpropanamide

N-[(E)-but-2-enyl]-N-phenylpropanamide (PubChem CID 134899700) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-phenylpropanamide
PubChem CID134899700
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(E)-but-2-enyl]-N-phenylpropanamide
SMILESC/C=C/CN(C(=O)CC)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h3,5-10H,4,11H2,1-2H3/b5-3+
InChIKeyZNXVSRBDBOJUMA-HWKANZROSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.01
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-[(E)-but-2-enyl]-N-phenylpropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-N-phenylpropanamide (CID 134899700) is N-[(E)-but-2-enyl]-N-phenylpropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-phenylpropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-N-phenylpropanamide is C/C=C/CN(C(=O)CC)c1ccccc1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-phenylpropanamide?
The InChIKey is ZNXVSRBDBOJUMA-HWKANZROSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h3,5-10H,4,11H2,1-2H3/b5-3+.
What are the key properties of N-[(E)-but-2-enyl]-N-phenylpropanamide?
N-[(E)-but-2-enyl]-N-phenylpropanamide has a molecular weight of 203.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-phenylpropanamide is sourced from PubChem (CID 134899700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).