(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide

C18H18INO2 — CID 55771428

IUPAC(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C18H18INO2/c1-2-13-22-15-10-7-14(8-11-15)9-12-18(21)20-17-6-4-3-5-16(17)19/h3-12H,2,13H2,1H3,(H,20,21)/b12-9+
InChIKeyVLGVHJAFPLTISD-FMIVXFBMSA-N
MW407.25 g/mol
LogP4.73
Rot. Bonds6

About (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide

(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 55771428) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID55771428
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C18H18INO2/c1-2-13-22-15-10-7-14(8-11-15)9-12-18(21)20-17-6-4-3-5-16(17)19/h3-12H,2,13H2,1H3,(H,20,21)/b12-9+
InChIKeyVLGVHJAFPLTISD-FMIVXFBMSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 55778336
N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19181852
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 26688134
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide (CID 55771428) is (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2ccccc2I)cc1.
What is the InChIKey of (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is VLGVHJAFPLTISD-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H18INO2/c1-2-13-22-15-10-7-14(8-11-15)9-12-18(21)20-17-6-4-3-5-16(17)19/h3-12H,2,13H2,1H3,(H,20,21)/b12-9+.
What are the key properties of (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide?
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 407.25 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55771428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).