2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide

C26H27N5O5 — CID 653471

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1
InChIInChI=1S/C26H27N5O5/c1-34-18-11-12-23(35-2)20(14-18)25(26(33)27-15-19-6-5-13-36-19)31(17-9-10-17)24(32)16-30-22-8-4-3-7-21(22)28-29-30/h3-8,11-14,17,25H,9-10,15-16H2,1-2H3,(H,27,33)
InChIKeyVFXVWQQZGBJGAV-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.09
Rot. Bonds10

About 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 653471) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID653471
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1
InChIInChI=1S/C26H27N5O5/c1-34-18-11-12-23(35-2)20(14-18)25(26(33)27-15-19-6-5-13-36-19)31(17-9-10-17)24(32)16-30-22-8-4-3-7-21(22)28-29-30/h3-8,11-14,17,25H,9-10,15-16H2,1-2H3,(H,27,33)
InChIKeyVFXVWQQZGBJGAV-UHFFFAOYSA-N
XLogP3.09
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide (CID 653471) is 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide is COc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VFXVWQQZGBJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-34-18-11-12-23(35-2)20(14-18)25(26(33)27-15-19-6-5-13-36-19)31(17-9-10-17)24(32)16-30-22-8-4-3-7-21(22)28-29-30/h3-8,11-14,17,25H,9-10,15-16H2,1-2H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 489.53 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 653471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).