N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C17H18N2O3 — CID 923472

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C=Cc2ccc(C)o2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-4-9-16(22-12)10-11-17(21)18-14-5-7-15(8-6-14)19(3)13(2)20/h4-11H,1-3H3,(H,18,21)
InChIKeyZJTFPSIBSPBKPR-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.22
Rot. Bonds4

About N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 923472) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID923472
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C=Cc2ccc(C)o2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-4-9-16(22-12)10-11-17(21)18-14-5-7-15(8-6-14)19(3)13(2)20/h4-11H,1-3H3,(H,18,21)
InChIKeyZJTFPSIBSPBKPR-UHFFFAOYSA-N
XLogP3.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3691981
(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)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 923472) is N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is CC(=O)N(C)c1ccc(NC(=O)C=Cc2ccc(C)o2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is ZJTFPSIBSPBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-9-16(22-12)10-11-17(21)18-14-5-7-15(8-6-14)19(3)13(2)20/h4-11H,1-3H3,(H,18,21).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 923472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).