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

C24H25N5O4 — CID 3211933

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCOCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C24H25N5O4/c1-17-12-13-21(33-17)23(24(31)25-14-15-32-2)29(18-8-4-3-5-9-18)22(30)16-28-20-11-7-6-10-19(20)26-27-28/h3-13,23H,14-16H2,1-2H3,(H,25,31)
InChIKeyDEQGVAMHFGQDAX-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.87
Rot. Bonds9

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

2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3211933) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
PubChem CID3211933
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCOCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C24H25N5O4/c1-17-12-13-21(33-17)23(24(31)25-14-15-32-2)29(18-8-4-3-5-9-18)22(30)16-28-20-11-7-6-10-19(20)26-27-28/h3-13,23H,14-16H2,1-2H3,(H,25,31)
InChIKeyDEQGVAMHFGQDAX-UHFFFAOYSA-N
XLogP2.87
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide (CID 3211933) is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide is COCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is DEQGVAMHFGQDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-17-12-13-21(33-17)23(24(31)25-14-15-32-2)29(18-8-4-3-5-9-18)22(30)16-28-20-11-7-6-10-19(20)26-27-28/h3-13,23H,14-16H2,1-2H3,(H,25,31).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 447.50 g/mol, XLogP of 2.87, 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]anilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3211933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).