(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide

C24H27N3O2 — CID 71216485

IUPAC(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide
SMILESCOc1cc(/C=C(\C)C(=O)NCCCc2ccccc2C)ccc1-n1ccnc1
InChIInChI=1S/C24H27N3O2/c1-18-7-4-5-8-21(18)9-6-12-26-24(28)19(2)15-20-10-11-22(23(16-20)29-3)27-14-13-25-17-27/h4-5,7-8,10-11,13-17H,6,9,12H2,1-3H3,(H,26,28)/b19-15+
InChIKeyNKIYQRYSFVEDLI-XDJHFCHBSA-N
MW389.50 g/mol
LogP4.34
Rot. Bonds8

About (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide

(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide (PubChem CID 71216485) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide
PubChem CID71216485
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide
SMILESCOc1cc(/C=C(\C)C(=O)NCCCc2ccccc2C)ccc1-n1ccnc1
InChIInChI=1S/C24H27N3O2/c1-18-7-4-5-8-21(18)9-6-12-26-24(28)19(2)15-20-10-11-22(23(16-20)29-3)27-14-13-25-17-27/h4-5,7-8,10-11,13-17H,6,9,12H2,1-3H3,(H,26,28)/b19-15+
InChIKeyNKIYQRYSFVEDLI-XDJHFCHBSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.34
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'}

Analyze (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide (CID 71216485) is (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide is COc1cc(/C=C(\C)C(=O)NCCCc2ccccc2C)ccc1-n1ccnc1.
What is the InChIKey of (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide?
The InChIKey is NKIYQRYSFVEDLI-XDJHFCHBSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-7-4-5-8-21(18)9-6-12-26-24(28)19(2)15-20-10-11-22(23(16-20)29-3)27-14-13-25-17-27/h4-5,7-8,10-11,13-17H,6,9,12H2,1-3H3,(H,26,28)/b19-15+.
What are the key properties of (E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide?
(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 4.34, 8 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-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide is sourced from PubChem (CID 71216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).