2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

C20H26N2O4 — CID 118769075

IUPAC2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Cn1cc(C(C)=O)c2cccc(CC)c21
InChIInChI=1S/C20H26N2O4/c1-4-14-7-6-8-15-16(13(3)23)9-22(20(14)15)10-19(24)21-17-11-25-12-18(17)26-5-2/h6-9,17-18H,4-5,10-12H2,1-3H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyIQWCEUAWSYCITA-ROUUACIJSA-N
MW358.44 g/mol
LogP2.33
Rot. Bonds7

About 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide (PubChem CID 118769075) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
PubChem CID118769075
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Cn1cc(C(C)=O)c2cccc(CC)c21
InChIInChI=1S/C20H26N2O4/c1-4-14-7-6-8-15-16(13(3)23)9-22(20(14)15)10-19(24)21-17-11-25-12-18(17)26-5-2/h6-9,17-18H,4-5,10-12H2,1-3H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyIQWCEUAWSYCITA-ROUUACIJSA-N
XLogP2.33
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide (CID 118769075) is 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide is CCO[C@H]1COC[C@@H]1NC(=O)Cn1cc(C(C)=O)c2cccc(CC)c21.
What is the InChIKey of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The InChIKey is IQWCEUAWSYCITA-ROUUACIJSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-14-7-6-8-15-16(13(3)23)9-22(20(14)15)10-19(24)21-17-11-25-12-18(17)26-5-2/h6-9,17-18H,4-5,10-12H2,1-3H3,(H,21,24)/t17-,18-/m0/s1.
What are the key properties of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 118769075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).