2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide

C25H31N3O3 — CID 134806782

IUPAC2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
SMILESCC(C)(Oc1nn(CC2CCOCC2)c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C25H31N3O3/c1-25(2,24(29)26-15-12-19-8-4-3-5-9-19)31-23-21-10-6-7-11-22(21)28(27-23)18-20-13-16-30-17-14-20/h3-11,20H,12-18H2,1-2H3,(H,26,29)
InChIKeyLQAOOMGMZSTDPZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.98
Rot. Bonds8

About 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide

2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide (PubChem CID 134806782) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
PubChem CID134806782
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
SMILESCC(C)(Oc1nn(CC2CCOCC2)c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C25H31N3O3/c1-25(2,24(29)26-15-12-19-8-4-3-5-9-19)31-23-21-10-6-7-11-22(21)28(27-23)18-20-13-16-30-17-14-20/h3-11,20H,12-18H2,1-2H3,(H,26,29)
InChIKeyLQAOOMGMZSTDPZ-UHFFFAOYSA-N
XLogP3.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, sodium salt (1:1)
CID 23662369
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
Methyl 2-[3-[3-(cyclohexylmethoxy)phenyl]indazol-1-yl]acetate
CID 73506047
Methyl 2-[3-[3-(2-cyclohexylethoxy)phenyl]indazol-1-yl]acetate
CID 73506260
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]acetamide
CID 25014203
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-3-methoxy-propanamide
CID 25014204
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
Methyl 2-[3-[3-(3-cyclohexylpropoxy)phenyl]indazol-1-yl]acetate
CID 73507348
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide (CID 134806782) is 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide is CC(C)(Oc1nn(CC2CCOCC2)c2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
The InChIKey is LQAOOMGMZSTDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-25(2,24(29)26-15-12-19-8-4-3-5-9-19)31-23-21-10-6-7-11-22(21)28(27-23)18-20-13-16-30-17-14-20/h3-11,20H,12-18H2,1-2H3,(H,26,29).
What are the key properties of 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide has a molecular weight of 421.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 134806782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).