2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide

C19H21N3O2 — CID 6620230

IUPAC2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-2-11-24-17-9-7-15(8-10-17)12-20-19(23)14-22-18-6-4-3-5-16(18)13-21-22/h3-10,13H,2,11-12,14H2,1H3,(H,20,23)
InChIKeyFEHRNGWDNHRVAL-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.14
Rot. Bonds7

About 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide

2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 6620230) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID6620230
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-2-11-24-17-9-7-15(8-10-17)12-20-19(23)14-22-18-6-4-3-5-16(18)13-21-22/h3-10,13H,2,11-12,14H2,1H3,(H,20,23)
InChIKeyFEHRNGWDNHRVAL-UHFFFAOYSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide (CID 6620230) is 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)Cn2ncc3ccccc32)cc1.
What is the InChIKey of 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is FEHRNGWDNHRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-11-24-17-9-7-15(8-10-17)12-20-19(23)14-22-18-6-4-3-5-16(18)13-21-22/h3-10,13H,2,11-12,14H2,1H3,(H,20,23).
What are the key properties of 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide?
2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 6620230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).