(E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide

C24H35N5O2 — CID 143700670

IUPAC(E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide
SMILESCC(CNCCc1ccccc1)/N=C1\CNC(/C=C/C(=O)NOC2CCCCC2)=CN1
InChIInChI=1S/C24H35N5O2/c1-19(16-25-15-14-20-8-4-2-5-9-20)28-23-18-26-21(17-27-23)12-13-24(30)29-31-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,17,19,22,25-26H,3,6-7,10-11,14-16,18H2,1H3,(H,27,28)(H,29,30)/b13-12+
InChIKeyNGDLAEZTSSEPGE-OUKQBFOZSA-N
MW425.58 g/mol
LogP2.58
Rot. Bonds10

About (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide

(E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide (PubChem CID 143700670) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide
PubChem CID143700670
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name(E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide
SMILESCC(CNCCc1ccccc1)/N=C1\CNC(/C=C/C(=O)NOC2CCCCC2)=CN1
InChIInChI=1S/C24H35N5O2/c1-19(16-25-15-14-20-8-4-2-5-9-20)28-23-18-26-21(17-27-23)12-13-24(30)29-31-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,17,19,22,25-26H,3,6-7,10-11,14-16,18H2,1H3,(H,27,28)(H,29,30)/b13-12+
InChIKeyNGDLAEZTSSEPGE-OUKQBFOZSA-N
XLogP2.58
TPSA86.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide (CID 143700670) is (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide is CC(CNCCc1ccccc1)/N=C1\CNC(/C=C/C(=O)NOC2CCCCC2)=CN1.
What is the InChIKey of (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide?
The InChIKey is NGDLAEZTSSEPGE-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-19(16-25-15-14-20-8-4-2-5-9-20)28-23-18-26-21(17-27-23)12-13-24(30)29-31-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,17,19,22,25-26H,3,6-7,10-11,14-16,18H2,1H3,(H,27,28)(H,29,30)/b13-12+.
What are the key properties of (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide?
(E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide has a molecular weight of 425.58 g/mol, XLogP of 2.58, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyloxy-3-[3-[1-(2-phenylethylamino)propan-2-ylimino]-2,4-dihydro-1H-pyrazin-6-yl]prop-2-enamide is sourced from PubChem (CID 143700670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).