3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide

C23H25N3O2 — CID 72688336

IUPAC3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
SMILESCCC(C)Oc1ccccc1C=CC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-3-18(2)28-22-7-5-4-6-20(22)10-13-23(27)25-16-19-8-11-21(12-9-19)26-15-14-24-17-26/h4-15,17-18H,3,16H2,1-2H3,(H,25,27)
InChIKeyVCZUIPZRPRNUHU-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.38
Rot. Bonds8

About 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide

3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide (PubChem CID 72688336) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
PubChem CID72688336
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
SMILESCCC(C)Oc1ccccc1C=CC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-3-18(2)28-22-7-5-4-6-20(22)10-13-23(27)25-16-19-8-11-21(12-9-19)26-15-14-24-17-26/h4-15,17-18H,3,16H2,1-2H3,(H,25,27)
InChIKeyVCZUIPZRPRNUHU-UHFFFAOYSA-N
XLogP4.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 60584791
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 15944639
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24688119
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 26130489
4-[[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 55591130
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
The IUPAC name of 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide (CID 72688336) is 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide is CCC(C)Oc1ccccc1C=CC(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
The InChIKey is VCZUIPZRPRNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-18(2)28-22-7-5-4-6-20(22)10-13-23(27)25-16-19-8-11-21(12-9-19)26-15-14-24-17-26/h4-15,17-18H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 72688336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).