2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide

C21H28N2O3 — CID 125158902

IUPAC2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NCC[C@@H]3CCCOC3)c12
InChIInChI=1S/C21H28N2O3/c1-3-17-7-4-8-18-19(15(2)24)12-23(21(17)18)13-20(25)22-10-9-16-6-5-11-26-14-16/h4,7-8,12,16H,3,5-6,9-11,13-14H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyOBCSZDUIAAIQJY-INIZCTEOSA-N
MW356.47 g/mol
LogP3.34
Rot. Bonds7

About 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide

2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide (PubChem CID 125158902) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide
PubChem CID125158902
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NCC[C@@H]3CCCOC3)c12
InChIInChI=1S/C21H28N2O3/c1-3-17-7-4-8-18-19(15(2)24)12-23(21(17)18)13-20(25)22-10-9-16-6-5-11-26-14-16/h4,7-8,12,16H,3,5-6,9-11,13-14H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyOBCSZDUIAAIQJY-INIZCTEOSA-N
XLogP3.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide?
The IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide (CID 125158902) is 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide is CCc1cccc2c(C(C)=O)cn(CC(=O)NCC[C@@H]3CCCOC3)c12.
What is the InChIKey of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide?
The InChIKey is OBCSZDUIAAIQJY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-17-7-4-8-18-19(15(2)24)12-23(21(17)18)13-20(25)22-10-9-16-6-5-11-26-14-16/h4,7-8,12,16H,3,5-6,9-11,13-14H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide?
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide is sourced from PubChem (CID 125158902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).