N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide

C18H19N3O3 — CID 67777850

IUPACN-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1ccc(-n2cc3cc(O)ccc3n2)cc1
InChIInChI=1S/C18H19N3O3/c1-12(19-13(2)22)11-24-17-6-3-15(4-7-17)21-10-14-9-16(23)5-8-18(14)20-21/h3-10,12,23H,11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeySAZVVCDWJMLHHB-LBPRGKRZSA-N
MW325.37 g/mol
LogP2.63
Rot. Bonds5

About N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide

N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide (PubChem CID 67777850) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide
PubChem CID67777850
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1ccc(-n2cc3cc(O)ccc3n2)cc1
InChIInChI=1S/C18H19N3O3/c1-12(19-13(2)22)11-24-17-6-3-15(4-7-17)21-10-14-9-16(23)5-8-18(14)20-21/h3-10,12,23H,11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeySAZVVCDWJMLHHB-LBPRGKRZSA-N
XLogP2.63
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide (CID 67777850) is N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1ccc(-n2cc3cc(O)ccc3n2)cc1.
What is the InChIKey of N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide?
The InChIKey is SAZVVCDWJMLHHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(19-13(2)22)11-24-17-6-3-15(4-7-17)21-10-14-9-16(23)5-8-18(14)20-21/h3-10,12,23H,11H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide?
N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 67777850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).