(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide

C14H15N3O2 — CID 68521034

IUPAC(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C14H15N3O2/c1-10-8-17(9-16-10)12-5-3-11(4-6-14(15)18)7-13(12)19-2/h3-9H,1-2H3,(H2,15,18)/b6-4+
InChIKeyAXTOXHRUDNBRPE-GQCTYLIASA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds4

About (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide

(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide (PubChem CID 68521034) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
PubChem CID68521034
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C14H15N3O2/c1-10-8-17(9-16-10)12-5-3-11(4-6-14(15)18)7-13(12)19-2/h3-9H,1-2H3,(H2,15,18)/b6-4+
InChIKeyAXTOXHRUDNBRPE-GQCTYLIASA-N
XLogP1.69
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.69
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-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
(E)-2-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66838905
methyl 3-(4-fluorophenyl)-2-[(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]oxy-3-oxopropanoate
CID 86615141
N-(2-fluoro-2-phenylethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 66960853
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 66960110
N'-[1-(4-fluorophenyl)ethyl]-N-methoxy-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enimidamide
CID 74401540
(E)-N-butyl-N-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 143143651
N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 123962202
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-phenoxyethyl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 66961666
(E)-N-(3-hydroxy-3-methyl-1-phenylbutan-2-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 59170803
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide (CID 68521034) is (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide is COc1cc(/C=C/C(N)=O)ccc1-n1cnc(C)c1.
What is the InChIKey of (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is AXTOXHRUDNBRPE-GQCTYLIASA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-8-17(9-16-10)12-5-3-11(4-6-14(15)18)7-13(12)19-2/h3-9H,1-2H3,(H2,15,18)/b6-4+.
What are the key properties of (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide?
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 68521034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).