2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide

C25H23N3O2 — CID 134141300

IUPAC2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C25H23N3O2/c1-17(2)25(29)26-19-9-6-10-20(15-19)30-21-12-13-22-23(27-28-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-17H,1-2H3,(H,26,29)(H,27,28)/b14-11+
InChIKeyHZSIIOJLXKUWBL-SDNWHVSQSA-N
MW397.48 g/mol
LogP6.12
Rot. Bonds6

About 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide

2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide (PubChem CID 134141300) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide
PubChem CID134141300
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C25H23N3O2/c1-17(2)25(29)26-19-9-6-10-20(15-19)30-21-12-13-22-23(27-28-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-17H,1-2H3,(H,26,29)(H,27,28)/b14-11+
InChIKeyHZSIIOJLXKUWBL-SDNWHVSQSA-N
XLogP6.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide (CID 134141300) is 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide is CC(C)C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide?
The InChIKey is HZSIIOJLXKUWBL-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17(2)25(29)26-19-9-6-10-20(15-19)30-21-12-13-22-23(27-28-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-17H,1-2H3,(H,26,29)(H,27,28)/b14-11+.
What are the key properties of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide?
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]propanamide is sourced from PubChem (CID 134141300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).