N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C32H35F3N6O — CID 121349460

About N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 121349460) has the molecular formula C32H35F3N6O and a molecular weight of 576.67 g/mol. Its IUPAC name is N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 121349460
• Molecular Formula: C32H35F3N6O
• Molecular Weight: 576.67 g/mol
• Exact Mass: 576.28
• IUPAC Name: N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
• SMILES: CC(C)CN(c1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccccc1C(F)(F)F)C1CCCCC1
• InChI: InChI=1S/C32H35F3N6O/c1-21(2)20-41(24-11-4-3-5-12-24)29-17-16-22(25-13-7-8-14-26(25)31-37-39-40-38-31)18-28(29)36-30(42)19-23-10-6-9-15-27(23)32(33,34)35/h6-10,13-18,21,24H,3-5,11-12,19-20H2,1-2H3,(H,36,42)(H,37,38,39,40)
• InChIKey: ZIVCFQFENAGGAK-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 121349460) is N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide is CC(C)CN(c1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccccc1C(F)(F)F)C1CCCCC1.

What is the InChIKey of N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?

The InChIKey is ZIVCFQFENAGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O/c1-21(2)20-41(24-11-4-3-5-12-24)29-17-16-22(25-13-7-8-14-26(25)31-37-39-40-38-31)18-28(29)36-30(42)19-23-10-6-9-15-27(23)32(33,34)35/h6-10,13-18,21,24H,3-5,11-12,19-20H2,1-2H3,(H,36,42)(H,37,38,39,40).

What are the key properties of N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?

N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 576.67 g/mol, XLogP of 7.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121349460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).