N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide

C32H37N3O4 — CID 5140398

About N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide

N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide (PubChem CID 5140398) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide
• PubChem CID: 5140398
• Molecular Formula: C32H37N3O4
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.28
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide
• SMILES: COc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)COCc1ccccc1)C(C)C
• InChI: InChI=1S/C32H37N3O4/c1-24(2)35(32(37)23-39-22-25-11-5-4-6-12-25)21-31(36)34(20-27-13-7-10-16-30(27)38-3)18-17-26-19-33-29-15-9-8-14-28(26)29/h4-16,19,24,33H,17-18,20-23H2,1-3H3
• InChIKey: QVDAPSWYZNZZPY-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 74.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide?

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide (CID 5140398) is N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide.

What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide?

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide is COc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)COCc1ccccc1)C(C)C.

What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide?

The InChIKey is QVDAPSWYZNZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-24(2)35(32(37)23-39-22-25-11-5-4-6-12-25)21-31(36)34(20-27-13-7-10-16-30(27)38-3)18-17-26-19-33-29-15-9-8-14-28(26)29/h4-16,19,24,33H,17-18,20-23H2,1-3H3.

What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide?

N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide has a molecular weight of 527.67 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 5140398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).