N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide

C15H21N3O3 — CID 110002753

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide
SMILESCOCC(C)(CCO)NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-15(7-8-19,11-21-2)17-14(20)10-18-13-6-4-3-5-12(13)9-16-18/h3-6,9,19H,7-8,10-11H2,1-2H3,(H,17,20)
InChIKeyQVWTZNBMUIRXLP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds7

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide (PubChem CID 110002753) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide
PubChem CID110002753
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide
SMILESCOCC(C)(CCO)NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-15(7-8-19,11-21-2)17-14(20)10-18-13-6-4-3-5-12(13)9-16-18/h3-6,9,19H,7-8,10-11H2,1-2H3,(H,17,20)
InChIKeyQVWTZNBMUIRXLP-UHFFFAOYSA-N
XLogP0.94
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
2-indazol-1-yl-3-methoxy-2-methylpropanoic acid
CID 115002905
methyl (2S)-2-[[2-[(2-indazol-1-ylacetyl)amino]acetyl]amino]-3-methylbutanoate
CID 24800202
2-indazol-1-yl-1-(2-methoxyphenyl)ethanone
CID 62140573
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
CID 111441933
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)but-3-enamide
CID 110002888
N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
CID 71864031

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide (CID 110002753) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide is COCC(C)(CCO)NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide?
The InChIKey is QVWTZNBMUIRXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(7-8-19,11-21-2)17-14(20)10-18-13-6-4-3-5-12(13)9-16-18/h3-6,9,19H,7-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 110002753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).