2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide

C26H33N5O5 — CID 655767

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide
SMILESCOCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC
InChIInChI=1S/C26H33N5O5/c1-34-16-15-30(23(32)17-31-21-13-7-6-12-20(21)28-29-31)24(26(33)27-18-9-4-5-10-18)19-11-8-14-22(35-2)25(19)36-3/h6-8,11-14,18,24H,4-5,9-10,15-17H2,1-3H3,(H,27,33)
InChIKeyTUALTBBNKOKQIN-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.72
Rot. Bonds11

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide (PubChem CID 655767) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide
PubChem CID655767
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide
SMILESCOCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC
InChIInChI=1S/C26H33N5O5/c1-34-16-15-30(23(32)17-31-21-13-7-6-12-20(21)28-29-31)24(26(33)27-18-9-4-5-10-18)19-11-8-14-22(35-2)25(19)36-3/h6-8,11-14,18,24H,4-5,9-10,15-17H2,1-3H3,(H,27,33)
InChIKeyTUALTBBNKOKQIN-UHFFFAOYSA-N
XLogP2.72
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.72
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]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide (CID 655767) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide is COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide?
The InChIKey is TUALTBBNKOKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-34-16-15-30(23(32)17-31-21-13-7-6-12-20(21)28-29-31)24(26(33)27-18-9-4-5-10-18)19-11-8-14-22(35-2)25(19)36-3/h6-8,11-14,18,24H,4-5,9-10,15-17H2,1-3H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide has a molecular weight of 495.58 g/mol, XLogP of 2.72, 11 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]-(2-methoxyethyl)amino]-N-cyclopentyl-2-(2,3-dimethoxyphenyl)acetamide is sourced from PubChem (CID 655767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).