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

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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).