N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide

C16H23N3O3 — CID 4295387

IUPACN-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide
SMILESCCOC(CNC(=O)Cn1nc(C)c2ccccc21)OCC
InChIInChI=1S/C16H23N3O3/c1-4-21-16(22-5-2)10-17-15(20)11-19-14-9-7-6-8-13(14)12(3)18-19/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyQMNXNYFXNKZXMU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.86
Rot. Bonds8

About N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide

N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide (PubChem CID 4295387) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide
PubChem CID4295387
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide
SMILESCCOC(CNC(=O)Cn1nc(C)c2ccccc21)OCC
InChIInChI=1S/C16H23N3O3/c1-4-21-16(22-5-2)10-17-15(20)11-19-14-9-7-6-8-13(14)12(3)18-19/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyQMNXNYFXNKZXMU-UHFFFAOYSA-N
XLogP1.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide (CID 4295387) is N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide is CCOC(CNC(=O)Cn1nc(C)c2ccccc21)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide?
The InChIKey is QMNXNYFXNKZXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-21-16(22-5-2)10-17-15(20)11-19-14-9-7-6-8-13(14)12(3)18-19/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide?
N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-(3-methylindazol-1-yl)acetamide is sourced from PubChem (CID 4295387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).