N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide

C24H23N3O2 — CID 10452673

IUPACN-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)ccc12
InChIInChI=1S/C24H23N3O2/c1-2-6-23(28)25-24-21-14-11-19(15-22(21)26-27-24)18-9-12-20(13-10-18)29-16-17-7-4-3-5-8-17/h3-5,7-15H,2,6,16H2,1H3,(H2,25,26,27,28)
InChIKeyIZDDHPYHUUYBPX-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.55
Rot. Bonds7

About N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 10452673) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID10452673
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)ccc12
InChIInChI=1S/C24H23N3O2/c1-2-6-23(28)25-24-21-14-11-19(15-22(21)26-27-24)18-9-12-20(13-10-18)29-16-17-7-4-3-5-8-17/h3-5,7-15H,2,6,16H2,1H3,(H2,25,26,27,28)
InChIKeyIZDDHPYHUUYBPX-UHFFFAOYSA-N
XLogP5.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide (CID 10452673) is N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)ccc12.
What is the InChIKey of N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is IZDDHPYHUUYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-6-23(28)25-24-21-14-11-19(15-22(21)26-27-24)18-9-12-20(13-10-18)29-16-17-7-4-3-5-8-17/h3-5,7-15H,2,6,16H2,1H3,(H2,25,26,27,28).
What are the key properties of N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 385.47 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 10452673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).