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

C22H23N3O2 — CID 6078143

IUPAC(E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccccc1/C=C(/C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-27-21-11-6-5-10-19(21)16-20(18-8-3-2-4-9-18)22(26)24-12-7-14-25-15-13-23-17-25/h2-6,8-11,13,15-17H,7,12,14H2,1H3,(H,24,26)/b20-16+
InChIKeyQPRZKUKSVXRATK-CAPFRKAQSA-N
MW361.45 g/mol
LogP3.64
Rot. Bonds8

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

(E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 6078143) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID6078143
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccccc1/C=C(/C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-27-21-11-6-5-10-19(21)16-20(18-8-3-2-4-9-18)22(26)24-12-7-14-25-15-13-23-17-25/h2-6,8-11,13,15-17H,7,12,14H2,1H3,(H,24,26)/b20-16+
InChIKeyQPRZKUKSVXRATK-CAPFRKAQSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide (CID 6078143) is (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccccc1/C=C(/C(=O)NCCCn1ccnc1)c1ccccc1.
What is the InChIKey of (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is QPRZKUKSVXRATK-CAPFRKAQSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-11-6-5-10-19(21)16-20(18-8-3-2-4-9-18)22(26)24-12-7-14-25-15-13-23-17-25/h2-6,8-11,13,15-17H,7,12,14H2,1H3,(H,24,26)/b20-16+.
What are the key properties of (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-imidazol-1-ylpropyl)-3-(2-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 6078143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).