(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide

C23H25N3O2 — CID 154858203

IUPAC(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-n2ccnc2)cc1)NCCCOCCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23(25-14-4-17-28-18-13-20-5-2-1-3-6-20)12-9-21-7-10-22(11-8-21)26-16-15-24-19-26/h1-3,5-12,15-16,19H,4,13-14,17-18H2,(H,25,27)/b12-9+
InChIKeyTUDITXYECOFIRA-FMIVXFBMSA-N
MW375.47 g/mol
LogP3.65
Rot. Bonds10

About (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide

(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide (PubChem CID 154858203) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide
PubChem CID154858203
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-n2ccnc2)cc1)NCCCOCCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23(25-14-4-17-28-18-13-20-5-2-1-3-6-20)12-9-21-7-10-22(11-8-21)26-16-15-24-19-26/h1-3,5-12,15-16,19H,4,13-14,17-18H2,(H,25,27)/b12-9+
InChIKeyTUDITXYECOFIRA-FMIVXFBMSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.65
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'}

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Related Compounds

(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide
CID 166187032
(E)-N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 166195199
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
N-[(1-hydroxycyclobutyl)methyl]-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 111539599
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide (CID 154858203) is (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide is O=C(/C=C/c1ccc(-n2ccnc2)cc1)NCCCOCCc1ccccc1.
What is the InChIKey of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide?
The InChIKey is TUDITXYECOFIRA-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(25-14-4-17-28-18-13-20-5-2-1-3-6-20)12-9-21-7-10-22(11-8-21)26-16-15-24-19-26/h1-3,5-12,15-16,19H,4,13-14,17-18H2,(H,25,27)/b12-9+.
What are the key properties of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide?
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide is sourced from PubChem (CID 154858203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).