2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide

C20H23N3O2 — CID 4546851

IUPAC2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2nc(C)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-3-12-25-17-10-8-16(9-11-17)13-21-20(24)14-23-19-7-5-4-6-18(19)15(2)22-23/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyUDTZONKXHHQQCW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds7

About 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide

2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 4546851) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID4546851
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2nc(C)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-3-12-25-17-10-8-16(9-11-17)13-21-20(24)14-23-19-7-5-4-6-18(19)15(2)22-23/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyUDTZONKXHHQQCW-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

2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
N-[(4-butoxyphenyl)methyl]-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395124
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
2-(3-methylindazol-1-yl)-N-(2-methylphenyl)acetamide
CID 20886113
3-(2-methylpropyl)-4-oxo-N-[(4-propoxyphenyl)methyl]phthalazine-1-carboxamide
CID 52654082
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 20886493
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 78899254
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (CID 4546851) is 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)Cn2nc(C)c3ccccc32)cc1.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is UDTZONKXHHQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-12-25-17-10-8-16(9-11-17)13-21-20(24)14-23-19-7-5-4-6-18(19)15(2)22-23/h4-11H,3,12-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
2-(3-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-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4546851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).