N-[(E)-3-phenylprop-2-enyl]butanamide

C13H17NO — CID 101027676

IUPACN-[(E)-3-phenylprop-2-enyl]butanamide
SMILESCCCC(=O)NC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-7-13(15)14-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3,(H,14,15)/b10-6+
InChIKeyAUMXESBVCXATND-UXBLZVDNSA-N
MW203.29 g/mol
LogP2.62
Rot. Bonds5

About N-[(E)-3-phenylprop-2-enyl]butanamide

N-[(E)-3-phenylprop-2-enyl]butanamide (PubChem CID 101027676) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]butanamide
PubChem CID101027676
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-[(E)-3-phenylprop-2-enyl]butanamide
SMILESCCCC(=O)NC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-7-13(15)14-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3,(H,14,15)/b10-6+
InChIKeyAUMXESBVCXATND-UXBLZVDNSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]butanamide?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]butanamide (CID 101027676) is N-[(E)-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]butanamide is CCCC(=O)NC/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]butanamide?
The InChIKey is AUMXESBVCXATND-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-7-13(15)14-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3,(H,14,15)/b10-6+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]butanamide?
N-[(E)-3-phenylprop-2-enyl]butanamide has a molecular weight of 203.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 101027676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).