2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide

C17H25N5O3 — CID 3212208

IUPAC2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)NCCOC)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H25N5O3/c1-3-4-10-21(12-16(23)18-9-11-25-2)17(24)13-22-15-8-6-5-7-14(15)19-20-22/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)
InChIKeyHHMDANRGCXFYOD-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.82
Rot. Bonds10

About 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide

2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide (PubChem CID 3212208) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
PubChem CID3212208
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)NCCOC)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H25N5O3/c1-3-4-10-21(12-16(23)18-9-11-25-2)17(24)13-22-15-8-6-5-7-14(15)19-20-22/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)
InChIKeyHHMDANRGCXFYOD-UHFFFAOYSA-N
XLogP0.82
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide (CID 3212208) is 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide is CCCCN(CC(=O)NCCOC)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
The InChIKey is HHMDANRGCXFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-4-10-21(12-16(23)18-9-11-25-2)17(24)13-22-15-8-6-5-7-14(15)19-20-22/h5-8H,3-4,9-13H2,1-2H3,(H,18,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-butyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3212208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).