4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide

C19H21N3O3 — CID 4782602

IUPAC4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-24-16-7-9-17(10-8-16)25-11-3-4-19(23)21-15-6-5-14-13-20-22-18(14)12-15/h5-10,12-13H,2-4,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyCCBDMGHGJLHSPJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.76
Rot. Bonds8

About 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide

4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide (PubChem CID 4782602) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
PubChem CID4782602
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-24-16-7-9-17(10-8-16)25-11-3-4-19(23)21-15-6-5-14-13-20-22-18(14)12-15/h5-10,12-13H,2-4,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyCCBDMGHGJLHSPJ-UHFFFAOYSA-N
XLogP3.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
CID 34149775
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108855713
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
CID 108865659
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide (CID 4782602) is 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide is CCOc1ccc(OCCCC(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide?
The InChIKey is CCBDMGHGJLHSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-24-16-7-9-17(10-8-16)25-11-3-4-19(23)21-15-6-5-14-13-20-22-18(14)12-15/h5-10,12-13H,2-4,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide?
4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide has a molecular weight of 339.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide is sourced from PubChem (CID 4782602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).