(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide

C17H18BrNO4 — CID 26663841

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(Br)o2)c1
InChIInChI=1S/C17H18BrNO4/c1-3-21-13-5-8-15(22-4-2)14(11-13)19-17(20)10-7-12-6-9-16(18)23-12/h5-11H,3-4H2,1-2H3,(H,19,20)/b10-7+
InChIKeyBVPHELUCYJFOSY-JXMROGBWSA-N
MW380.24 g/mol
LogP4.49
Rot. Bonds7

About (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide (PubChem CID 26663841) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
PubChem CID26663841
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(Br)o2)c1
InChIInChI=1S/C17H18BrNO4/c1-3-21-13-5-8-15(22-4-2)14(11-13)19-17(20)10-7-12-6-9-16(18)23-12/h5-11H,3-4H2,1-2H3,(H,19,20)/b10-7+
InChIKeyBVPHELUCYJFOSY-JXMROGBWSA-N
XLogP4.49
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.49
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

N-[4-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 35865429
5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
CID 26180023
(E)-3-(5-bromofuran-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 2123806
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 72687447
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26702969
(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 26756004
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
3-(5-bromo-2-fluorophenyl)-N-(2-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 72687951
(E)-N-(2,5-diethoxyphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26179996

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide (CID 26663841) is (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide is CCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(Br)o2)c1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
The InChIKey is BVPHELUCYJFOSY-JXMROGBWSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-3-21-13-5-8-15(22-4-2)14(11-13)19-17(20)10-7-12-6-9-16(18)23-12/h5-11H,3-4H2,1-2H3,(H,19,20)/b10-7+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide has a molecular weight of 380.24 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26663841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).