N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide

C30H30ClN7O2 — CID 23885549

About N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide

N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide (PubChem CID 23885549) has the molecular formula C30H30ClN7O2 and a molecular weight of 556.07 g/mol. Its IUPAC name is N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 23885549
• Molecular Formula: C30H30ClN7O2
• Molecular Weight: 556.07 g/mol
• Exact Mass: 555.21
• IUPAC Name: N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide
• SMILES: CC(C)(C)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C(=O)NCc1ccccc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C30H30ClN7O2/c1-30(2,3)38(26(39)19-37-35-28(34-36-37)21-13-15-22(31)16-14-21)27(24-18-32-25-12-8-7-11-23(24)25)29(40)33-17-20-9-5-4-6-10-20/h4-16,18,27,32H,17,19H2,1-3H3,(H,33,40)
• InChIKey: ZPYIWBFBHMUCJM-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.07
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide (CID 23885549) is N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide is CC(C)(C)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C(=O)NCc1ccccc1)c1c[nH]c2ccccc12.

What is the InChIKey of N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide?

The InChIKey is ZPYIWBFBHMUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O2/c1-30(2,3)38(26(39)19-37-35-28(34-36-37)21-13-15-22(31)16-14-21)27(24-18-32-25-12-8-7-11-23(24)25)29(40)33-17-20-9-5-4-6-10-20/h4-16,18,27,32H,17,19H2,1-3H3,(H,33,40).

What are the key properties of N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide?

N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 556.07 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23885549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).