2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide

C20H23N3O2 — CID 22509892

IUPAC2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2ncc3ccc(C)cc32)cc1
InChIInChI=1S/C20H23N3O2/c1-3-10-25-18-8-5-16(6-9-18)12-21-20(24)14-23-19-11-15(2)4-7-17(19)13-22-23/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,21,24)
InChIKeyCUNTUZUVJFVYPS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds7

About 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide

2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 22509892) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID22509892
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2ncc3ccc(C)cc32)cc1
InChIInChI=1S/C20H23N3O2/c1-3-10-25-18-8-5-16(6-9-18)12-21-20(24)14-23-19-11-15(2)4-7-17(19)13-22-23/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,21,24)
InChIKeyCUNTUZUVJFVYPS-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4546851
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509900
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4249781
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882150
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53080162

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (CID 22509892) is 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)Cn2ncc3ccc(C)cc32)cc1.
What is the InChIKey of 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is CUNTUZUVJFVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-10-25-18-8-5-16(6-9-18)12-21-20(24)14-23-19-11-15(2)4-7-17(19)13-22-23/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,21,24).
What are the key properties of 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 22509892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).