(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide

C27H22N2O3 — CID 71092778

IUPAC(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C27H22N2O3/c1-2-7-27(30)29-21-9-6-8-20(18-21)25-19-28-17-16-26(25)32-24-14-12-23(13-15-24)31-22-10-4-3-5-11-22/h2-19H,1H3,(H,29,30)/b7-2+
InChIKeyBSVHWLYAUBTUHZ-FARCUNLSSA-N
MW422.48 g/mol
LogP6.85
Rot. Bonds7

About (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide

(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide (PubChem CID 71092778) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
PubChem CID71092778
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C27H22N2O3/c1-2-7-27(30)29-21-9-6-8-20(18-21)25-19-28-17-16-26(25)32-24-14-12-23(13-15-24)31-22-10-4-3-5-11-22/h2-19H,1H3,(H,29,30)/b7-2+
InChIKeyBSVHWLYAUBTUHZ-FARCUNLSSA-N
XLogP6.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide with MolForge

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Related Compounds

N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]but-2-enamide
CID 71092945
N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
CID 89266732
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
CID 129142524
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
(Z)-N-phenylbut-2-enamide
CID 59909226
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
CID 110478051
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
N-[6-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide
CID 66769733
(E)-3-(4-ethoxyphenyl)-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770515
(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
CID 78906818
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide?
The IUPAC name of (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide (CID 71092778) is (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide is C/C=C/C(=O)Nc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide?
The InChIKey is BSVHWLYAUBTUHZ-FARCUNLSSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-2-7-27(30)29-21-9-6-8-20(18-21)25-19-28-17-16-26(25)32-24-14-12-23(13-15-24)31-22-10-4-3-5-11-22/h2-19H,1H3,(H,29,30)/b7-2+.
What are the key properties of (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide?
(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide has a molecular weight of 422.48 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide is sourced from PubChem (CID 71092778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).