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

C21H24N2O3 — CID 9178639

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

N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178639) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
• PubChem CID: 9178639
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1C(=O)N(CCOc2cccc(C)c2)c2c(C)ccc(C)c21
• InChI: InChI=1S/C21H24N2O3/c1-13-6-5-7-17(12-13)26-11-10-23-20-15(3)9-8-14(2)18(20)19(21(23)25)22-16(4)24/h5-9,12,19H,10-11H2,1-4H3,(H,22,24)/t19-/m0/s1
• InChIKey: DGKKUGRBEBYOJY-IBGZPJMESA-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-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?

The IUPAC name of N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178639) is N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

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

The canonical SMILES for N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCOc2cccc(C)c2)c2c(C)ccc(C)c21.

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

The InChIKey is DGKKUGRBEBYOJY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-6-5-7-17(12-13)26-11-10-23-20-15(3)9-8-14(2)18(20)19(21(23)25)22-16(4)24/h5-9,12,19H,10-11H2,1-4H3,(H,22,24)/t19-/m0/s1.

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

N-[(3S)-4,7-dimethyl-1-[2-(3-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-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).