N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

C16H16N2O3 — CID 2193237

IUPACN-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-3-8-16(21-11)15(20)9-10-17-13-4-6-14(7-5-13)18-12(2)19/h3-10,17H,1-2H3,(H,18,19)/b10-9+
InChIKeyAMOJPNAFAOFEBF-MDZDMXLPSA-N
MW284.32 g/mol
LogP3.35
Rot. Bonds5

About N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (PubChem CID 2193237) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
PubChem CID2193237
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-3-8-16(21-11)15(20)9-10-17-13-4-6-14(7-5-13)18-12(2)19/h3-10,17H,1-2H3,(H,18,19)/b10-9+
InChIKeyAMOJPNAFAOFEBF-MDZDMXLPSA-N
XLogP3.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (CID 2193237) is N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(C)o2)cc1.
What is the InChIKey of N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The InChIKey is AMOJPNAFAOFEBF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-3-8-16(21-11)15(20)9-10-17-13-4-6-14(7-5-13)18-12(2)19/h3-10,17H,1-2H3,(H,18,19)/b10-9+.
What are the key properties of N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is sourced from PubChem (CID 2193237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).