2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide

C27H29N5O4 — CID 3212059

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
SMILESCOCCNC(=O)C(c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC
InChIInChI=1S/C27H29N5O4/c1-19-10-4-5-11-20(19)26(27(34)28-16-17-35-2)32(23-14-8-9-15-24(23)36-3)25(33)18-31-22-13-7-6-12-21(22)29-30-31/h4-15,26H,16-18H2,1-3H3,(H,28,34)
InChIKeyXBQQAMLZLCCGLS-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.29
Rot. Bonds10

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide (PubChem CID 3212059) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
PubChem CID3212059
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
SMILESCOCCNC(=O)C(c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC
InChIInChI=1S/C27H29N5O4/c1-19-10-4-5-11-20(19)26(27(34)28-16-17-35-2)32(23-14-8-9-15-24(23)36-3)25(33)18-31-22-13-7-6-12-21(22)29-30-31/h4-15,26H,16-18H2,1-3H3,(H,28,34)
InChIKeyXBQQAMLZLCCGLS-UHFFFAOYSA-N
XLogP3.29
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methylanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212069
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,3-dimethylanilino)-2-(2,3-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
CID 98103295
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212066
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3212119
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3211894
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 3197917
2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3211909
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1463555
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4-dimethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide
CID 40624869
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-2-(2,3-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101111
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,6-dimethylanilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1463588
2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
CID 3211939

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide (CID 3212059) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide is COCCNC(=O)C(c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide?
The InChIKey is XBQQAMLZLCCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-19-10-4-5-11-20(19)26(27(34)28-16-17-35-2)32(23-14-8-9-15-24(23)36-3)25(33)18-31-22-13-7-6-12-21(22)29-30-31/h4-15,26H,16-18H2,1-3H3,(H,28,34).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide has a molecular weight of 487.56 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 3212059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).