N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide

C32H37N3O4 — CID 18709669

About N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 18709669) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
• PubChem CID: 18709669
• Molecular Formula: C32H37N3O4
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.28
• IUPAC Name: N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
• SMILES: COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C(C)C)cc1)C(C)=O
• InChI: InChI=1S/C32H37N3O4/c1-22(2)24-13-15-28(16-14-24)39-21-32(37)34-27(17-26-18-33-30-11-7-6-10-29(26)30)20-35(23(3)36)19-25-9-5-8-12-31(25)38-4/h5-16,18,22,27,33H,17,19-21H2,1-4H3,(H,34,37)
• InChIKey: CGWAMKMBMVVSNL-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 83.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 18709669) is N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide is COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C(C)C)cc1)C(C)=O.

What is the InChIKey of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?

The InChIKey is CGWAMKMBMVVSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-22(2)24-13-15-28(16-14-24)39-21-32(37)34-27(17-26-18-33-30-11-7-6-10-29(26)30)20-35(23(3)36)19-25-9-5-8-12-31(25)38-4/h5-16,18,22,27,33H,17,19-21H2,1-4H3,(H,34,37).

What are the key properties of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?

N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 527.67 g/mol, XLogP of 5.45, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 18709669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).