N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

C30H33N3O4 — CID 26996376

About N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 26996376) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
• PubChem CID: 26996376
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
• SMILES: CCOc1ccc([C@@H](CNC(=O)CNC(=O)c2cc(C)cc(C)c2)c2c[nH]c3ccccc23)cc1OC
• InChI: InChI=1S/C30H33N3O4/c1-5-37-27-11-10-21(15-28(27)36-4)24(25-17-31-26-9-7-6-8-23(25)26)16-32-29(34)18-33-30(35)22-13-19(2)12-20(3)14-22/h6-15,17,24,31H,5,16,18H2,1-4H3,(H,32,34)(H,33,35)/t24-/m1/s1
• InChIKey: WCPOMYQTZODCNR-XMMPIXPASA-N
• XLogP: 4.87
• TPSA: 92.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?

The IUPAC name of N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 26996376) is N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.

What is the SMILES notation for N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?

The canonical SMILES for N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is CCOc1ccc([C@@H](CNC(=O)CNC(=O)c2cc(C)cc(C)c2)c2c[nH]c3ccccc23)cc1OC.

What is the InChIKey of N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?

The InChIKey is WCPOMYQTZODCNR-XMMPIXPASA-N. The full InChI is InChI=1S/C30H33N3O4/c1-5-37-27-11-10-21(15-28(27)36-4)24(25-17-31-26-9-7-6-8-23(25)26)16-32-29(34)18-33-30(35)22-13-19(2)12-20(3)14-22/h6-15,17,24,31H,5,16,18H2,1-4H3,(H,32,34)(H,33,35)/t24-/m1/s1.

What are the key properties of N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?

N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 499.61 g/mol, XLogP of 4.87, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 26996376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).