N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide

C21H25NO3 — CID 26328293

IUPACN-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
SMILESCOC[C@H](O)CNC(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H25NO3/c1-25-14-17(23)13-22-21(24)12-20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20,23H,10-14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyCYVJINKTAUKVIQ-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.43
Rot. Bonds6

About N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide

N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide (PubChem CID 26328293) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
PubChem CID26328293
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
SMILESCOC[C@H](O)CNC(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H25NO3/c1-25-14-17(23)13-22-21(24)12-20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20,23H,10-14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyCYVJINKTAUKVIQ-QGZVFWFLSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide (CID 26328293) is N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is COC[C@H](O)CNC(=O)CC1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The InChIKey is CYVJINKTAUKVIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-14-17(23)13-22-21(24)12-20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20,23H,10-14H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is sourced from PubChem (CID 26328293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).