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

C23H25N3O3 — CID 166187032

IUPAC(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide
SMILESCOc1ccc(COCCCNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-28-22-10-5-20(6-11-22)17-29-16-2-13-25-23(27)12-7-19-3-8-21(9-4-19)26-15-14-24-18-26/h3-12,14-15,18H,2,13,16-17H2,1H3,(H,25,27)/b12-7+
InChIKeyFFLVUJYOHLVRHZ-KPKJPENVSA-N
MW391.47 g/mol
LogP3.62
Rot. Bonds10

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

(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide (PubChem CID 166187032) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide
PubChem CID166187032
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide
SMILESCOc1ccc(COCCCNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-28-22-10-5-20(6-11-22)17-29-16-2-13-25-23(27)12-7-19-3-8-21(9-4-19)26-15-14-24-18-26/h3-12,14-15,18H,2,13,16-17H2,1H3,(H,25,27)/b12-7+
InChIKeyFFLVUJYOHLVRHZ-KPKJPENVSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide
CID 154858203
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-N-(4-imidazol-1-ylbutyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 166204567
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 166195199
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl-[2-[2-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium dichloride
CID 22141786
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide (CID 166187032) is (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide is COc1ccc(COCCCNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide?
The InChIKey is FFLVUJYOHLVRHZ-KPKJPENVSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-22-10-5-20(6-11-22)17-29-16-2-13-25-23(27)12-7-19-3-8-21(9-4-19)26-15-14-24-18-26/h3-12,14-15,18H,2,13,16-17H2,1H3,(H,25,27)/b12-7+.
What are the key properties of (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide?
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide has a molecular weight of 391.47 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide is sourced from PubChem (CID 166187032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).