(E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide

C15H17N3O — CID 5349037

IUPAC(E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C15H17N3O/c19-15(8-7-14-5-2-1-3-6-14)17-9-4-11-18-12-10-16-13-18/h1-3,5-8,10,12-13H,4,9,11H2,(H,17,19)/b8-7+
InChIKeyBMVJWBZHZVYRLB-BQYQJAHWSA-N
MW255.32 g/mol
LogP2.10
Rot. Bonds6

About (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide

(E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide (PubChem CID 5349037) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide
PubChem CID5349037
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C15H17N3O/c19-15(8-7-14-5-2-1-3-6-14)17-9-4-11-18-12-10-16-13-18/h1-3,5-8,10,12-13H,4,9,11H2,(H,17,19)/b8-7+
InChIKeyBMVJWBZHZVYRLB-BQYQJAHWSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide (CID 5349037) is (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCn1ccnc1.
What is the InChIKey of (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide?
The InChIKey is BMVJWBZHZVYRLB-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(8-7-14-5-2-1-3-6-14)17-9-4-11-18-12-10-16-13-18/h1-3,5-8,10,12-13H,4,9,11H2,(H,17,19)/b8-7+.
What are the key properties of (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide?
(E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-imidazol-1-ylpropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5349037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).