2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide

C19H23N3O4 — CID 55602008

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C19H23N3O4/c1-12(23)13-7-8-17(18(9-13)25-3)26-11-19(24)21-15-5-4-6-16-14(15)10-20-22(16)2/h7-10,15H,4-6,11H2,1-3H3,(H,21,24)
InChIKeyQTFIJHWJMXIDCD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.20
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide (PubChem CID 55602008) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
PubChem CID55602008
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C19H23N3O4/c1-12(23)13-7-8-17(18(9-13)25-3)26-11-19(24)21-15-5-4-6-16-14(15)10-20-22(16)2/h7-10,15H,4-6,11H2,1-3H3,(H,21,24)
InChIKeyQTFIJHWJMXIDCD-UHFFFAOYSA-N
XLogP2.20
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 46402085
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94442452
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 56731320

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide (CID 55602008) is 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
The InChIKey is QTFIJHWJMXIDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(23)13-7-8-17(18(9-13)25-3)26-11-19(24)21-15-5-4-6-16-14(15)10-20-22(16)2/h7-10,15H,4-6,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide is sourced from PubChem (CID 55602008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).