(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide

C18H20N2O4 — CID 56811678

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1ccco1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C18H20N2O4/c1-2-20(12-16-4-3-11-23-16)18(22)10-7-14-5-8-15(9-6-14)24-13-17(19)21/h3-11H,2,12-13H2,1H3,(H2,19,21)/b10-7+
InChIKeyYTFMQBIFEGOBRG-JXMROGBWSA-N
MW328.37 g/mol
LogP2.21
Rot. Bonds8

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 56811678) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID56811678
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1ccco1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C18H20N2O4/c1-2-20(12-16-4-3-11-23-16)18(22)10-7-14-5-8-15(9-6-14)24-13-17(19)21/h3-11H,2,12-13H2,1H3,(H2,19,21)/b10-7+
InChIKeyYTFMQBIFEGOBRG-JXMROGBWSA-N
XLogP2.21
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.21
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

(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 67516457
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 56810298
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(2R)-2-cyanopropyl]-N-methylprop-2-enamide
CID 94813862
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
CID 28642606
methyl 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 76857234

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide (CID 56811678) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide is CCN(Cc1ccco1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is YTFMQBIFEGOBRG-JXMROGBWSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-20(12-16-4-3-11-23-16)18(22)10-7-14-5-8-15(9-6-14)24-13-17(19)21/h3-11H,2,12-13H2,1H3,(H2,19,21)/b10-7+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 328.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 56811678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).