(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide

C23H22N2O2 — CID 22473299

IUPAC(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC(C)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-3-4-9-19(17)13-14-22(26)25-18(2)20-10-7-11-21(16-20)27-23-12-5-6-15-24-23/h3-16,18H,1-2H3,(H,25,26)/b14-13+
InChIKeyWVDOSLTVIWCAHS-BUHFOSPRSA-N
MW358.44 g/mol
LogP5.07
Rot. Bonds6

About (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide

(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide (PubChem CID 22473299) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
PubChem CID22473299
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC(C)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-3-4-9-19(17)13-14-22(26)25-18(2)20-10-7-11-21(16-20)27-23-12-5-6-15-24-23/h3-16,18H,1-2H3,(H,25,26)/b14-13+
InChIKeyWVDOSLTVIWCAHS-BUHFOSPRSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenyl)-N-[(1S)-1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 91235343
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 10473817
(E)-3-(2,4-difluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473269
(E)-3-(4-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473280
(E)-3-(3-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473294
(E)-3-phenyl-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 20791754
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344
(E)-3-(4-chloro-2-fluorophenyl)-N-[1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473312
(E)-3-(2-fluorophenyl)prop-2-enoic acid;(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrimidin-2-yloxyphenyl)ethyl]prop-2-enamide;(1S)-1-(3-pyrimidin-2-yloxyphenyl)ethanamine
CID 158262697
(E)-3-(2-chloro-4-fluorophenyl)-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 20791745
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 10428785
(E)-3-(2,3-difluorophenyl)-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 22473232

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide (CID 22473299) is (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide is Cc1ccccc1/C=C/C(=O)NC(C)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide?
The InChIKey is WVDOSLTVIWCAHS-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-3-4-9-19(17)13-14-22(26)25-18(2)20-10-7-11-21(16-20)27-23-12-5-6-15-24-23/h3-16,18H,1-2H3,(H,25,26)/b14-13+.
What are the key properties of (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 22473299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).