(2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C32H34F3N7O3 — CID 98097215

About (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

(2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 98097215) has the molecular formula C32H34F3N7O3 and a molecular weight of 621.66 g/mol. Its IUPAC name is (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 98097215
• Molecular Formula: C32H34F3N7O3
• Molecular Weight: 621.66 g/mol
• Exact Mass: 621.27
• IUPAC Name: (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1
• InChI: InChI=1S/C32H34F3N7O3/c1-21-9-11-23(12-10-21)30-37-39-41(38-30)20-28(43)42(26-7-4-6-24(18-26)32(33,34)35)29(22-13-15-25(16-14-22)40(2)3)31(44)36-19-27-8-5-17-45-27/h4,6-7,9-16,18,27,29H,5,8,17,19-20H2,1-3H3,(H,36,44)/t27-,29-/m1/s1
• InChIKey: ZMXVGSMNNJHOBS-XRKRLSELSA-N
• XLogP: 4.80
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.66
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

The IUPAC name of (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 98097215) is (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

What is the SMILES notation for (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

The canonical SMILES for (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1.

What is the InChIKey of (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

The InChIKey is ZMXVGSMNNJHOBS-XRKRLSELSA-N. The full InChI is InChI=1S/C32H34F3N7O3/c1-21-9-11-23(12-10-21)30-37-39-41(38-30)20-28(43)42(26-7-4-6-24(18-26)32(33,34)35)29(22-13-15-25(16-14-22)40(2)3)31(44)36-19-27-8-5-17-45-27/h4,6-7,9-16,18,27,29H,5,8,17,19-20H2,1-3H3,(H,36,44)/t27-,29-/m1/s1.

What are the key properties of (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

(2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 621.66 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-(dimethylamino)phenyl]-2-[N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 98097215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).