(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide

C19H25NO4 — CID 110002731

IUPAC(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)NC(C)(CCO)COC
InChIInChI=1S/C19H25NO4/c1-4-16-15(14-7-5-6-8-17(14)24-16)9-10-18(22)20-19(2,11-12-21)13-23-3/h5-10,21H,4,11-13H2,1-3H3,(H,20,22)/b10-9+
InChIKeyNUNXLOAFLIFHIF-MDZDMXLPSA-N
MW331.41 g/mol
LogP2.91
Rot. Bonds8

About (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide

(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide (PubChem CID 110002731) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
PubChem CID110002731
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)NC(C)(CCO)COC
InChIInChI=1S/C19H25NO4/c1-4-16-15(14-7-5-6-8-17(14)24-16)9-10-18(22)20-19(2,11-12-21)13-23-3/h5-10,21H,4,11-13H2,1-3H3,(H,20,22)/b10-9+
InChIKeyNUNXLOAFLIFHIF-MDZDMXLPSA-N
XLogP2.91
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.91
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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Related Compounds

(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 78823120
methyl (2S)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085116
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 110002949
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 94131112

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide (CID 110002731) is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide is CCc1oc2ccccc2c1/C=C/C(=O)NC(C)(CCO)COC.
What is the InChIKey of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is NUNXLOAFLIFHIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-16-15(14-7-5-6-8-17(14)24-16)9-10-18(22)20-19(2,11-12-21)13-23-3/h5-10,21H,4,11-13H2,1-3H3,(H,20,22)/b10-9+.
What are the key properties of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide?
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 331.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 110002731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).