(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide

C24H31NO3 — CID 69254787

IUPAC(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide
SMILESCOc1cc(CNC(=O)C(CCC/C=C/C(C)C)c2ccccc2)ccc1O
InChIInChI=1S/C24H31NO3/c1-18(2)10-6-4-9-13-21(20-11-7-5-8-12-20)24(27)25-17-19-14-15-22(26)23(16-19)28-3/h5-8,10-12,14-16,18,21,26H,4,9,13,17H2,1-3H3,(H,25,27)/b10-6+
InChIKeySLMIXTRAUUBJSO-UXBLZVDNSA-N
MW381.52 g/mol
LogP5.18
Rot. Bonds10

About (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide (PubChem CID 69254787) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide.

Molecular Properties

Compound Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide
PubChem CID69254787
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide
SMILESCOc1cc(CNC(=O)C(CCC/C=C/C(C)C)c2ccccc2)ccc1O
InChIInChI=1S/C24H31NO3/c1-18(2)10-6-4-9-13-21(20-11-7-5-8-12-20)24(27)25-17-19-14-15-22(26)23(16-19)28-3/h5-8,10-12,14-16,18,21,26H,4,9,13,17H2,1-3H3,(H,25,27)/b10-6+
InChIKeySLMIXTRAUUBJSO-UXBLZVDNSA-N
XLogP5.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide?
The IUPAC name of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide (CID 69254787) is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide.
What is the SMILES notation for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide?
The canonical SMILES for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide is COc1cc(CNC(=O)C(CCC/C=C/C(C)C)c2ccccc2)ccc1O.
What is the InChIKey of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide?
The InChIKey is SLMIXTRAUUBJSO-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H31NO3/c1-18(2)10-6-4-9-13-21(20-11-7-5-8-12-20)24(27)25-17-19-14-15-22(26)23(16-19)28-3/h5-8,10-12,14-16,18,21,26H,4,9,13,17H2,1-3H3,(H,25,27)/b10-6+.
What are the key properties of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide?
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide has a molecular weight of 381.52 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide is sourced from PubChem (CID 69254787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).