N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide

C22H33N3O3 — CID 11740930

IUPACN-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
SMILESCCCCN(CCC)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21
InChIInChI=1S/C22H33N3O3/c1-7-9-13-24(12-8-2)19(26)15-25-18-14-16(28-6)10-11-17(18)20(23-25)21(27)22(3,4)5/h10-11,14H,7-9,12-13,15H2,1-6H3
InChIKeyNWPURBDUHDEWQA-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.31
Rot. Bonds9

About N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide

N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide (PubChem CID 11740930) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
PubChem CID11740930
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
SMILESCCCCN(CCC)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21
InChIInChI=1S/C22H33N3O3/c1-7-9-13-24(12-8-2)19(26)15-25-18-14-16(28-6)10-11-17(18)20(23-25)21(27)22(3,4)5/h10-11,14H,7-9,12-13,15H2,1-6H3
InChIKeyNWPURBDUHDEWQA-UHFFFAOYSA-N
XLogP4.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide
CID 142895372
N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
CID 10070999
N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24965110
1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carboxylic acid
CID 11737836
N-tert-butyl-N-[2-[tert-butyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]ethyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24968309
[1-[1-[2-[3,3-dimethylbutyl(ethyl)amino]-2-oxoethyl]-6-methoxyindazol-3-yl]-2-methylprop-1-enyl] dihydrogen phosphate
CID 11525606
4-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-(3-methylbutyl)amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate
CID 90784908
1-[1-[2-[(4aS,8aR)-8a-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]-2-oxoethyl]-6-methoxyindazol-3-yl]-2,2-dimethylpropan-1-one
CID 142895397
N-butyl-2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzothiophen-3-yl]-N-propylacetamide
CID 11258194
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331
1-(3-benzoyl-6-methoxyindazol-1-yl)-3,3-dimethylbutan-2-one
CID 10427954

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide?
The IUPAC name of N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide (CID 11740930) is N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide.
What is the SMILES notation for N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide?
The canonical SMILES for N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide is CCCCN(CCC)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21.
What is the InChIKey of N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide?
The InChIKey is NWPURBDUHDEWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-7-9-13-24(12-8-2)19(26)15-25-18-14-16(28-6)10-11-17(18)20(23-25)21(27)22(3,4)5/h10-11,14H,7-9,12-13,15H2,1-6H3.
What are the key properties of N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide?
N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide has a molecular weight of 387.52 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 11740930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).