N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C21H24N2O4 — CID 9178644

About N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178644) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
• PubChem CID: 9178644
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.17
• IUPAC Name: N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
• SMILES: COc1ccccc1OCCN1C(=O)[C@H](NC(C)=O)c2c(C)ccc(C)c21
• InChI: InChI=1S/C21H24N2O4/c1-13-9-10-14(2)20-18(13)19(22-15(3)24)21(25)23(20)11-12-27-17-8-6-5-7-16(17)26-4/h5-10,19H,11-12H2,1-4H3,(H,22,24)/t19-/m1/s1
• InChIKey: VNKYUHKBMCFMGP-LJQANCHMSA-N
• XLogP: 2.91
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?

The IUPAC name of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178644) is N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

What is the SMILES notation for N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?

The canonical SMILES for N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is COc1ccccc1OCCN1C(=O)[C@H](NC(C)=O)c2c(C)ccc(C)c21.

What is the InChIKey of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?

The InChIKey is VNKYUHKBMCFMGP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-9-10-14(2)20-18(13)19(22-15(3)24)21(25)23(20)11-12-27-17-8-6-5-7-16(17)26-4/h5-10,19H,11-12H2,1-4H3,(H,22,24)/t19-/m1/s1.

What are the key properties of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?

N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).