2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

C28H27N5O4 — CID 3206165

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
InChIInChI=1S/C28H27N5O4/c1-19-9-12-21(13-10-19)17-32(26(34)18-33-24-8-4-3-7-23(24)30-31-33)27(25-14-11-20(2)37-25)28(35)29-16-22-6-5-15-36-22/h3-15,27H,16-18H2,1-2H3,(H,29,35)
InChIKeySPBZXTPORIDSRZ-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.32
Rot. Bonds9

About 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3206165) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
PubChem CID3206165
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
InChIInChI=1S/C28H27N5O4/c1-19-9-12-21(13-10-19)17-32(26(34)18-33-24-8-4-3-7-23(24)30-31-33)27(25-14-11-20(2)37-25)28(35)29-16-22-6-5-15-36-22/h3-15,27H,16-18H2,1-2H3,(H,29,35)
InChIKeySPBZXTPORIDSRZ-UHFFFAOYSA-N
XLogP4.32
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (CID 3206165) is 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is SPBZXTPORIDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-19-9-12-21(13-10-19)17-32(26(34)18-33-24-8-4-3-7-23(24)30-31-33)27(25-14-11-20(2)37-25)28(35)29-16-22-6-5-15-36-22/h3-15,27H,16-18H2,1-2H3,(H,29,35).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 497.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3206165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).