4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide

C19H21N3O3 — CID 34149775

IUPAC4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc3cn[nH]c23)cc1
InChIInChI=1S/C19H21N3O3/c1-2-24-15-8-10-16(11-9-15)25-12-4-7-18(23)21-17-6-3-5-14-13-20-22-19(14)17/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHKYGBAYQSYBINZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.76
Rot. Bonds8

About 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide

4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide (PubChem CID 34149775) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
PubChem CID34149775
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc3cn[nH]c23)cc1
InChIInChI=1S/C19H21N3O3/c1-2-24-15-8-10-16(11-9-15)25-12-4-7-18(23)21-17-6-3-5-14-13-20-22-19(14)17/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHKYGBAYQSYBINZ-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

N-(1H-indazol-7-yl)-5-methoxypentanamide
CID 86871615
N-(1H-indazol-7-yl)butanamide
CID 36575526
4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
CID 4782602
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
CID 5124937
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1H-indazol-7-yl)butanamide
CID 55547797
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015553
cis-(1R,2S)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015559
2-amino-N-(1H-indazol-7-yl)-3-methoxypropanamide
CID 81082479

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide (CID 34149775) is 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide is CCOc1ccc(OCCCC(=O)Nc2cccc3cn[nH]c23)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide?
The InChIKey is HKYGBAYQSYBINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-24-15-8-10-16(11-9-15)25-12-4-7-18(23)21-17-6-3-5-14-13-20-22-19(14)17/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide?
4-(4-ethoxyphenoxy)-N-(1H-indazol-7-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-7-yl)butanamide is sourced from PubChem (CID 34149775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).