N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H18INO4 — CID 4549362

IUPACN-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(I)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18INO4/c1-22-15-10-12(11-16(23-2)18(15)24-3)4-9-17(21)20-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,21)
InChIKeyUFMOJXVDMSFBOV-UHFFFAOYSA-N
MW439.25 g/mol
LogP3.97
Rot. Bonds6

About N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 4549362) has the molecular formula C18H18INO4 and a molecular weight of 439.25 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID4549362
Molecular FormulaC18H18INO4
Molecular Weight439.25 g/mol
Exact Mass439.03
IUPAC NameN-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(I)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18INO4/c1-22-15-10-12(11-16(23-2)18(15)24-3)4-9-17(21)20-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,21)
InChIKeyUFMOJXVDMSFBOV-UHFFFAOYSA-N
XLogP3.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
(E)-3-(3-amino-4-methoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359458
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8917840
3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 3521503
propan-2-yl 4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzoate
CID 3344409
(E)-3-(3-hydroxyphenyl)-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360057
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 4549362) is N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(I)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is UFMOJXVDMSFBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO4/c1-22-15-10-12(11-16(23-2)18(15)24-3)4-9-17(21)20-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 439.25 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4549362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).