N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C16H17NO4 — CID 712960

IUPACN-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)C=Cc2ccc(C)o2)c1
InChIInChI=1S/C16H17NO4/c1-11-4-5-12(21-11)7-9-16(18)17-14-10-13(19-2)6-8-15(14)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyCLIVDTURURSKGN-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.26
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 712960) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID712960
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)C=Cc2ccc(C)o2)c1
InChIInChI=1S/C16H17NO4/c1-11-4-5-12(21-11)7-9-16(18)17-14-10-13(19-2)6-8-15(14)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyCLIVDTURURSKGN-UHFFFAOYSA-N
XLogP3.26
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.26
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)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 19630742
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 60576631
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499
(E)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 712960) is N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is COc1ccc(OC)c(NC(=O)C=Cc2ccc(C)o2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is CLIVDTURURSKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-4-5-12(21-11)7-9-16(18)17-14-10-13(19-2)6-8-15(14)20-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 287.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).