2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide

C20H23N5O3 — CID 3212217

IUPAC2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C20H23N5O3/c1-15-7-9-16(10-8-15)24(13-19(26)21-11-12-28-2)20(27)14-25-18-6-4-3-5-17(18)22-23-25/h3-10H,11-14H2,1-2H3,(H,21,26)
InChIKeyFBZGKKBRZRSJHC-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.54
Rot. Bonds8

About 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide

2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide (PubChem CID 3212217) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide
PubChem CID3212217
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C20H23N5O3/c1-15-7-9-16(10-8-15)24(13-19(26)21-11-12-28-2)20(27)14-25-18-6-4-3-5-17(18)22-23-25/h3-10H,11-14H2,1-2H3,(H,21,26)
InChIKeyFBZGKKBRZRSJHC-UHFFFAOYSA-N
XLogP1.54
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide (CID 3212217) is 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide is COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide?
The InChIKey is FBZGKKBRZRSJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-15-7-9-16(10-8-15)24(13-19(26)21-11-12-28-2)20(27)14-25-18-6-4-3-5-17(18)22-23-25/h3-10H,11-14H2,1-2H3,(H,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.54, 8 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-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3212217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).