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

C26H27N5O4 — CID 654646

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H27N5O4/c32-24(18-31-23-13-5-4-12-22(23)28-29-31)30(17-21-11-7-15-35-21)25(19-8-2-1-3-9-19)26(33)27-16-20-10-6-14-34-20/h1-6,8-10,12-14,21,25H,7,11,15-18H2,(H,27,33)
InChIKeyCSQWSUFDBYXQPI-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.09
Rot. Bonds9

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

2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 654646) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID654646
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H27N5O4/c32-24(18-31-23-13-5-4-12-22(23)28-29-31)30(17-21-11-7-15-35-21)25(19-8-2-1-3-9-19)26(33)27-16-20-10-6-14-34-20/h1-6,8-10,12-14,21,25H,7,11,15-18H2,(H,27,33)
InChIKeyCSQWSUFDBYXQPI-UHFFFAOYSA-N
XLogP3.09
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 654646) is 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide is O=C(NCc1ccco1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is CSQWSUFDBYXQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c32-24(18-31-23-13-5-4-12-22(23)28-29-31)30(17-21-11-7-15-35-21)25(19-8-2-1-3-9-19)26(33)27-16-20-10-6-14-34-20/h1-6,8-10,12-14,21,25H,7,11,15-18H2,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 473.53 g/mol, XLogP of 3.09, 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]-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 654646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).