N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide

C25H25N3O2 — CID 134806076

IUPACN-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3C)ccc21
InChIInChI=1S/C25H25N3O2/c1-18-7-3-5-9-22(18)23-10-6-4-8-19(23)17-30-21-11-12-24-20(15-21)16-27-28(24)14-13-25(29)26-2/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29)
InChIKeyCRNFBHJZLKSPAJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.73
Rot. Bonds7

About N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide

N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide (PubChem CID 134806076) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide
PubChem CID134806076
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3C)ccc21
InChIInChI=1S/C25H25N3O2/c1-18-7-3-5-9-22(18)23-10-6-4-8-19(23)17-30-21-11-12-24-20(15-21)16-27-28(24)14-13-25(29)26-2/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29)
InChIKeyCRNFBHJZLKSPAJ-UHFFFAOYSA-N
XLogP4.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide (CID 134806076) is N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide is CNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3C)ccc21.
What is the InChIKey of N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide?
The InChIKey is CRNFBHJZLKSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-7-3-5-9-22(18)23-10-6-4-8-19(23)17-30-21-11-12-24-20(15-21)16-27-28(24)14-13-25(29)26-2/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29).
What are the key properties of N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide?
N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[[2-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanamide is sourced from PubChem (CID 134806076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).