N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide

C23H36N2O2 — CID 135541808

IUPACN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide
SMILESC=CCc1cccc(/C=N/NC(=O)CCCCCCCCCCCC)c1O
InChIInChI=1S/C23H36N2O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(26)25-24-19-21-17-14-16-20(15-4-2)23(21)27/h4,14,16-17,19,27H,2-3,5-13,15,18H2,1H3,(H,25,26)/b24-19+
InChIKeyZROASFHKWGEHRR-LYBHJNIJSA-N
MW372.55 g/mol
LogP5.88
Rot. Bonds15

About N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide

N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide (PubChem CID 135541808) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide
PubChem CID135541808
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide
SMILESC=CCc1cccc(/C=N/NC(=O)CCCCCCCCCCCC)c1O
InChIInChI=1S/C23H36N2O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(26)25-24-19-21-17-14-16-20(15-4-2)23(21)27/h4,14,16-17,19,27H,2-3,5-13,15,18H2,1H3,(H,25,26)/b24-19+
InChIKeyZROASFHKWGEHRR-LYBHJNIJSA-N
XLogP5.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide (CID 135541808) is N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide is C=CCc1cccc(/C=N/NC(=O)CCCCCCCCCCCC)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide?
The InChIKey is ZROASFHKWGEHRR-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(26)25-24-19-21-17-14-16-20(15-4-2)23(21)27/h4,14,16-17,19,27H,2-3,5-13,15,18H2,1H3,(H,25,26)/b24-19+.
What are the key properties of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide?
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide has a molecular weight of 372.55 g/mol, XLogP of 5.88, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]tridecanamide is sourced from PubChem (CID 135541808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).