(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide

C25H27NO2 — CID 6002858

IUPAC(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C25H27NO2/c27-23(11-6-18-4-2-1-3-5-18)26-22-9-7-21(8-10-22)24-13-19-12-20(14-24)16-25(28,15-19)17-24/h1-11,19-20,28H,12-17H2,(H,26,27)/b11-6+
InChIKeyBOIWGZPQCMOVOM-IZZDOVSWSA-N
MW373.50 g/mol
LogP4.92
Rot. Bonds4

About (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 6002858) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide
PubChem CID6002858
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C25H27NO2/c27-23(11-6-18-4-2-1-3-5-18)26-22-9-7-21(8-10-22)24-13-19-12-20(14-24)16-25(28,15-19)17-24/h1-11,19-20,28H,12-17H2,(H,26,27)/b11-6+
InChIKeyBOIWGZPQCMOVOM-IZZDOVSWSA-N
XLogP4.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide (CID 6002858) is (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is BOIWGZPQCMOVOM-IZZDOVSWSA-N. The full InChI is InChI=1S/C25H27NO2/c27-23(11-6-18-4-2-1-3-5-18)26-22-9-7-21(8-10-22)24-13-19-12-20(14-24)16-25(28,15-19)17-24/h1-11,19-20,28H,12-17H2,(H,26,27)/b11-6+.
What are the key properties of (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 373.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6002858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).