(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide

C21H19N3O2 — CID 95306614

IUPAC(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)N[C@H](COc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O2/c25-21(12-11-18-15-22-13-14-23-18)24-20(17-7-3-1-4-8-17)16-26-19-9-5-2-6-10-19/h1-15,20H,16H2,(H,24,25)/b12-11+/t20-/m1/s1
InChIKeyJBPICGZOKWMWFY-YVNCXZRQSA-N
MW345.40 g/mol
LogP3.43
Rot. Bonds7

About (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide

(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 95306614) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID95306614
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)N[C@H](COc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O2/c25-21(12-11-18-15-22-13-14-23-18)24-20(17-7-3-1-4-8-17)16-26-19-9-5-2-6-10-19/h1-15,20H,16H2,(H,24,25)/b12-11+/t20-/m1/s1
InChIKeyJBPICGZOKWMWFY-YVNCXZRQSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.43
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)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 75363884
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 76988075
N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
CID 103598072
3-phenyl-N-[1-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
CID 78111196
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide
CID 91942589
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
CID 120592001
(E)-3-phenyl-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 20791754
(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide
CID 95616236
methyl 2-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoylamino]acetate
CID 76878914
[(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937578
2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
CID 76988022

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide (CID 95306614) is (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide is O=C(/C=C/c1cnccn1)N[C@H](COc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is JBPICGZOKWMWFY-YVNCXZRQSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(12-11-18-15-22-13-14-23-18)24-20(17-7-3-1-4-8-17)16-26-19-9-5-2-6-10-19/h1-15,20H,16H2,(H,24,25)/b12-11+/t20-/m1/s1.
What are the key properties of (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide?
(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 95306614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).