2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide

C19H21N3O2 — CID 155549666

IUPAC2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2cn(C(C)C)nc2c1
InChIInChI=1S/C19H21N3O2/c1-13(2)22-11-15-8-9-16(10-17(15)21-22)20-19(23)12-24-18-7-5-4-6-14(18)3/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeyNQFZYDJFQTYCQO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide

2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide (PubChem CID 155549666) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide
PubChem CID155549666
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2cn(C(C)C)nc2c1
InChIInChI=1S/C19H21N3O2/c1-13(2)22-11-15-8-9-16(10-17(15)21-22)20-19(23)12-24-18-7-5-4-6-14(18)3/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeyNQFZYDJFQTYCQO-UHFFFAOYSA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-6-yl)acetamide
CID 11775399
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-hydroxy-acetamide
CID 25013489
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1109840
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 5340170
N-1H-indazol-5-yl-2-(2-isopropylphenoxy)acetamide
CID 6469899
N-1H-indazol-5-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 17165126
2-(4-Benzyloxy-phenyl)-N-[2-(2-pyrrolidin-1-yl-ethyl)-2H-indazol-6-yl]-acetamide
CID 11190261
2-(4-Benzyloxy-phenyl)-N-[1-(2-pyrrolidin-1-yl-ethyl)-2H-indazol-4-yl]-acetamide
CID 11282448
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-4-yl]acetamide
CID 11419666
1-(4-Benzyloxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11518159

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide (CID 155549666) is 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2cn(C(C)C)nc2c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide?
The InChIKey is NQFZYDJFQTYCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)22-11-15-8-9-16(10-17(15)21-22)20-19(23)12-24-18-7-5-4-6-14(18)3/h4-11,13H,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide?
2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide is sourced from PubChem (CID 155549666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).