(E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C16H18N2O2 — CID 888046

IUPAC(E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H18N2O2/c1-12-4-9-15(20-12)10-11-16(19)17-13-5-7-14(8-6-13)18(2)3/h4-11H,1-3H3,(H,17,19)/b11-10+
InChIKeyQSWMESJMZAVPMY-ZHACJKMWSA-N
MW270.33 g/mol
LogP3.31
Rot. Bonds4

About (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 888046) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID888046
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H18N2O2/c1-12-4-9-15(20-12)10-11-16(19)17-13-5-7-14(8-6-13)18(2)3/h4-11H,1-3H3,(H,17,19)/b11-10+
InChIKeyQSWMESJMZAVPMY-ZHACJKMWSA-N
XLogP3.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 888046) is (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1.
What is the InChIKey of (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is QSWMESJMZAVPMY-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-9-15(20-12)10-11-16(19)17-13-5-7-14(8-6-13)18(2)3/h4-11H,1-3H3,(H,17,19)/b11-10+.
What are the key properties of (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 888046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).