2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide

C28H25N5O3 — CID 3206357

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C28H25N5O3/c34-26(20-33-25-16-8-7-15-24(25)30-31-33)32(19-21-10-3-1-4-11-21)27(22-12-5-2-6-13-22)28(35)29-18-23-14-9-17-36-23/h1-17,27H,18-20H2,(H,29,35)
InChIKeyUBJQWAXBCASSLR-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.11
Rot. Bonds9

About 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide

2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 3206357) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID3206357
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C28H25N5O3/c34-26(20-33-25-16-8-7-15-24(25)30-31-33)32(19-21-10-3-1-4-11-21)27(22-12-5-2-6-13-22)28(35)29-18-23-14-9-17-36-23/h1-17,27H,18-20H2,(H,29,35)
InChIKeyUBJQWAXBCASSLR-UHFFFAOYSA-N
XLogP4.11
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 3206357) is 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide is O=C(NCc1ccco1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is UBJQWAXBCASSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c34-26(20-33-25-16-8-7-15-24(25)30-31-33)32(19-21-10-3-1-4-11-21)27(22-12-5-2-6-13-22)28(35)29-18-23-14-9-17-36-23/h1-17,27H,18-20H2,(H,29,35).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 479.54 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 3206357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).