3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide

C20H22INO4 — CID 76869686

IUPAC3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)C=Cc3ccc(I)o3)CCOCC2)cc1
InChIInChI=1S/C20H22INO4/c1-24-16-4-2-15(3-5-16)20(10-12-25-13-11-20)14-22-19(23)9-7-17-6-8-18(21)26-17/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyDODVVCIULCOXNM-UHFFFAOYSA-N
MW467.30 g/mol
LogP3.77
Rot. Bonds6

About 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide

3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide (PubChem CID 76869686) has the molecular formula C20H22INO4 and a molecular weight of 467.30 g/mol. Its IUPAC name is 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
PubChem CID76869686
Molecular FormulaC20H22INO4
Molecular Weight467.30 g/mol
Exact Mass467.06
IUPAC Name3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)C=Cc3ccc(I)o3)CCOCC2)cc1
InChIInChI=1S/C20H22INO4/c1-24-16-4-2-15(3-5-16)20(10-12-25-13-11-20)14-22-19(23)9-7-17-6-8-18(21)26-17/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyDODVVCIULCOXNM-UHFFFAOYSA-N
XLogP3.77
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.30
LogP ≤ 53.77
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-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
(E)-3-(5-bromothiophen-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 60578306
3-(1,3-benzothiazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 76869717
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 98935516
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
CID 110440822
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
The IUPAC name of 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide (CID 76869686) is 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
The canonical SMILES for 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide is COc1ccc(C2(CNC(=O)C=Cc3ccc(I)o3)CCOCC2)cc1.
What is the InChIKey of 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
The InChIKey is DODVVCIULCOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22INO4/c1-24-16-4-2-15(3-5-16)20(10-12-25-13-11-20)14-22-19(23)9-7-17-6-8-18(21)26-17/h2-9H,10-14H2,1H3,(H,22,23).
What are the key properties of 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide has a molecular weight of 467.30 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 76869686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).