2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide

C30H33N5O5 — CID 3198192

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 3198192) has the molecular formula C30H33N5O5 and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide
• PubChem CID: 3198192
• Molecular Formula: C30H33N5O5
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.25
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide
• SMILES: COc1cc(OC)cc(C(C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1
• InChI: InChI=1S/C30H33N5O5/c1-38-23-12-8-11-22(17-23)35(28(36)19-34-27-14-7-6-13-26(27)32-33-34)29(30(37)31-21-9-4-5-10-21)20-15-24(39-2)18-25(16-20)40-3/h6-8,11-18,21,29H,4-5,9-10,19H2,1-3H3,(H,31,37)
• InChIKey: CIMQDOKNYDVYTP-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 107.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide (CID 3198192) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(OC)cc(C(C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide?

The InChIKey is CIMQDOKNYDVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5/c1-38-23-12-8-11-22(17-23)35(28(36)19-34-27-14-7-6-13-26(27)32-33-34)29(30(37)31-21-9-4-5-10-21)20-15-24(39-2)18-25(16-20)40-3/h6-8,11-18,21,29H,4-5,9-10,19H2,1-3H3,(H,31,37).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 543.62 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 3198192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).