(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide

C21H20N2O4 — CID 60534017

IUPAC(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)/C=C/c3ccco3)ccn2)cc1
InChIInChI=1S/C21H20N2O4/c1-2-25-18-5-7-19(8-6-18)27-21-14-16(11-12-22-21)15-23-20(24)10-9-17-4-3-13-26-17/h3-14H,2,15H2,1H3,(H,23,24)/b10-9+
InChIKeyDFSRJDUYBPVRPP-MDZDMXLPSA-N
MW364.40 g/mol
LogP4.20
Rot. Bonds8

About (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 60534017) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID60534017
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)/C=C/c3ccco3)ccn2)cc1
InChIInChI=1S/C21H20N2O4/c1-2-25-18-5-7-19(8-6-18)27-21-14-16(11-12-22-21)15-23-20(24)10-9-17-4-3-13-26-17/h3-14H,2,15H2,1H3,(H,23,24)/b10-9+
InChIKeyDFSRJDUYBPVRPP-MDZDMXLPSA-N
XLogP4.20
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
1-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]urea
CID 86998881
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262415
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide (CID 60534017) is (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide is CCOc1ccc(Oc2cc(CNC(=O)/C=C/c3ccco3)ccn2)cc1.
What is the InChIKey of (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is DFSRJDUYBPVRPP-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-2-25-18-5-7-19(8-6-18)27-21-14-16(11-12-22-21)15-23-20(24)10-9-17-4-3-13-26-17/h3-14H,2,15H2,1H3,(H,23,24)/b10-9+.
What are the key properties of (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 364.40 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 60534017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).