N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide

C25H19NO2 — CID 10248276

IUPACN-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide
SMILESO=C(C#CC1(O)c2ccccc2C=Cc2ccccc21)NCc1ccccc1
InChIInChI=1S/C25H19NO2/c27-24(26-18-19-8-2-1-3-9-19)16-17-25(28)22-12-6-4-10-20(22)14-15-21-11-5-7-13-23(21)25/h1-15,28H,18H2,(H,26,27)
InChIKeyORKJBEWBNSOSOC-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.73
Rot. Bonds2

About N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide

N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide (PubChem CID 10248276) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide
PubChem CID10248276
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC NameN-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide
SMILESO=C(C#CC1(O)c2ccccc2C=Cc2ccccc21)NCc1ccccc1
InChIInChI=1S/C25H19NO2/c27-24(26-18-19-8-2-1-3-9-19)16-17-25(28)22-12-6-4-10-20(22)14-15-21-11-5-7-13-23(21)25/h1-15,28H,18H2,(H,26,27)
InChIKeyORKJBEWBNSOSOC-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide?
The IUPAC name of N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide (CID 10248276) is N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide.
What is the SMILES notation for N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide?
The canonical SMILES for N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide is O=C(C#CC1(O)c2ccccc2C=Cc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide?
The InChIKey is ORKJBEWBNSOSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c27-24(26-18-19-8-2-1-3-9-19)16-17-25(28)22-12-6-4-10-20(22)14-15-21-11-5-7-13-23(21)25/h1-15,28H,18H2,(H,26,27).
What are the key properties of N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide?
N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide has a molecular weight of 365.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide is sourced from PubChem (CID 10248276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).