2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide

C24H31N5O5 — CID 3212152

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccccc1C(C(=O)NCCOC)N(CCOC)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C24H31N5O5/c1-4-34-21-12-8-5-9-18(21)23(24(31)25-13-15-32-2)28(14-16-33-3)22(30)17-29-20-11-7-6-10-19(20)26-27-29/h5-12,23H,4,13-17H2,1-3H3,(H,25,31)
InChIKeyXOFQWPXTCAPYTJ-UHFFFAOYSA-N
MW469.54 g/mol
LogP1.81
Rot. Bonds13

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 3212152) has the molecular formula C24H31N5O5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide
PubChem CID3212152
Molecular FormulaC24H31N5O5
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccccc1C(C(=O)NCCOC)N(CCOC)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C24H31N5O5/c1-4-34-21-12-8-5-9-18(21)23(24(31)25-13-15-32-2)28(14-16-33-3)22(30)17-29-20-11-7-6-10-19(20)26-27-29/h5-12,23H,4,13-17H2,1-3H3,(H,25,31)
InChIKeyXOFQWPXTCAPYTJ-UHFFFAOYSA-N
XLogP1.81
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide (CID 3212152) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide is CCOc1ccccc1C(C(=O)NCCOC)N(CCOC)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is XOFQWPXTCAPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5/c1-4-34-21-12-8-5-9-18(21)23(24(31)25-13-15-32-2)28(14-16-33-3)22(30)17-29-20-11-7-6-10-19(20)26-27-29/h5-12,23H,4,13-17H2,1-3H3,(H,25,31).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 469.54 g/mol, XLogP of 1.81, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2-ethoxyphenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3212152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).