(2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

C30H34N6O3 — CID 25310650

About (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

(2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 25310650) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 25310650
• Molecular Formula: C30H34N6O3
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.27
• IUPAC Name: (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3C)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1
• InChI: InChI=1S/C30H34N6O3/c1-19-10-12-23(13-11-19)28-32-34-35(33-28)18-26(38)36(25-9-7-8-20(2)21(25)3)27(29(39)31-30(4,5)6)22-14-16-24(37)17-15-22/h7-17,27,37H,18H2,1-6H3,(H,31,39)/t27-/m1/s1
• InChIKey: DQIKRYAZZNPGBW-HHHXNRCGSA-N
• XLogP: 4.66
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (CID 25310650) is (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3C)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1.

What is the InChIKey of (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The InChIKey is DQIKRYAZZNPGBW-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-19-10-12-23(13-11-19)28-32-34-35(33-28)18-26(38)36(25-9-7-8-20(2)21(25)3)27(29(39)31-30(4,5)6)22-14-16-24(37)17-15-22/h7-17,27,37H,18H2,1-6H3,(H,31,39)/t27-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

(2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 526.64 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 25310650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).