2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide

C26H29N5O4 — CID 3211939

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCOCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C
InChIInChI=1S/C26H29N5O4/c1-17-9-10-18(2)22(15-17)31(24(32)16-30-21-8-6-5-7-20(21)28-29-30)25(23-12-11-19(3)35-23)26(33)27-13-14-34-4/h5-12,15,25H,13-14,16H2,1-4H3,(H,27,33)
InChIKeyFVYCZBWQWXVMOG-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.49
Rot. Bonds9

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3211939) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
PubChem CID3211939
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCOCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C
InChIInChI=1S/C26H29N5O4/c1-17-9-10-18(2)22(15-17)31(24(32)16-30-21-8-6-5-7-20(21)28-29-30)25(23-12-11-19(3)35-23)26(33)27-13-14-34-4/h5-12,15,25H,13-14,16H2,1-4H3,(H,27,33)
InChIKeyFVYCZBWQWXVMOG-UHFFFAOYSA-N
XLogP3.49
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.49
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]-2,5-dimethylanilino)-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3211909
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
CID 3778212
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4-dimethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide
CID 40624869
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methylanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212069
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-(3-methylbutyl)-2-(5-methylfuran-2-yl)acetamide
CID 3198649
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
CID 648736
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-(3-methylbutyl)-2-(5-methylfuran-2-yl)acetamide
CID 3198646
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212059
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]-2,5-dimethylanilino)-N-benzyl-2-(3-methoxyphenyl)acetamide
CID 3197816
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1152283

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide (CID 3211939) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide is COCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is FVYCZBWQWXVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17-9-10-18(2)22(15-17)31(24(32)16-30-21-8-6-5-7-20(21)28-29-30)25(23-12-11-19(3)35-23)26(33)27-13-14-34-4/h5-12,15,25H,13-14,16H2,1-4H3,(H,27,33).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 475.55 g/mol, XLogP of 3.49, 9 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]-2,5-dimethylanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3211939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).