N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide

C25H37N5O — CID 153348828

IUPACN-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide
SMILESC=C/C(=N\N/C(C)=N/C1CC(C)(C)NC(C)(C)C1)c1ccc(C(/C=C\C)=N/C)cc1O
InChIInChI=1S/C25H37N5O/c1-9-11-22(26-8)18-12-13-20(23(31)14-18)21(10-2)29-28-17(3)27-19-15-24(4,5)30-25(6,7)16-19/h9-14,19,30-31H,2,15-16H2,1,3-8H3,(H,27,28)/b11-9-,26-22+,29-21+
InChIKeyIKEOEAOAMCUQJO-YCQIJXSFSA-N
MW423.61 g/mol
LogP4.59
Rot. Bonds6

About N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide

N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide (PubChem CID 153348828) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide
PubChem CID153348828
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC NameN-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide
SMILESC=C/C(=N\N/C(C)=N/C1CC(C)(C)NC(C)(C)C1)c1ccc(C(/C=C\C)=N/C)cc1O
InChIInChI=1S/C25H37N5O/c1-9-11-22(26-8)18-12-13-20(23(31)14-18)21(10-2)29-28-17(3)27-19-15-24(4,5)30-25(6,7)16-19/h9-14,19,30-31H,2,15-16H2,1,3-8H3,(H,27,28)/b11-9-,26-22+,29-21+
InChIKeyIKEOEAOAMCUQJO-YCQIJXSFSA-N
XLogP4.59
TPSA81.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide?
The IUPAC name of N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide (CID 153348828) is N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide is C=C/C(=N\N/C(C)=N/C1CC(C)(C)NC(C)(C)C1)c1ccc(C(/C=C\C)=N/C)cc1O.
What is the InChIKey of N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide?
The InChIKey is IKEOEAOAMCUQJO-YCQIJXSFSA-N. The full InChI is InChI=1S/C25H37N5O/c1-9-11-22(26-8)18-12-13-20(23(31)14-18)21(10-2)29-28-17(3)27-19-15-24(4,5)30-25(6,7)16-19/h9-14,19,30-31H,2,15-16H2,1,3-8H3,(H,27,28)/b11-9-,26-22+,29-21+.
What are the key properties of N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide?
N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide has a molecular weight of 423.61 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 153348828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).