N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

C21H24N2O3 — CID 9178752

About N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178752) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
• PubChem CID: 9178752
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2C)c2c(C)cc(C)cc21
• InChI: InChI=1S/C21H24N2O3/c1-13-11-15(3)20-17(12-13)19(22-16(4)24)21(25)23(20)9-10-26-18-8-6-5-7-14(18)2/h5-8,11-12,19H,9-10H2,1-4H3,(H,22,24)/t19-/m1/s1
• InChIKey: NSEWXPAXCTVQFC-LJQANCHMSA-N
• XLogP: 3.21
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?

The IUPAC name of N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178752) is N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

What is the SMILES notation for N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?

The canonical SMILES for N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2C)c2c(C)cc(C)cc21.

What is the InChIKey of N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?

The InChIKey is NSEWXPAXCTVQFC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-11-15(3)20-17(12-13)19(22-16(4)24)21(25)23(20)9-10-26-18-8-6-5-7-14(18)2/h5-8,11-12,19H,9-10H2,1-4H3,(H,22,24)/t19-/m1/s1.

What are the key properties of N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?

N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).