2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide

C21H22N2O3 — CID 2973349

IUPAC2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-15(2)22-21(25)13-23-12-18(17-10-6-7-11-19(17)23)20(24)14-26-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,22,25)
InChIKeyQDYUEBHZSQZZFU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds7

About 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide

2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide (PubChem CID 2973349) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide
PubChem CID2973349
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-15(2)22-21(25)13-23-12-18(17-10-6-7-11-19(17)23)20(24)14-26-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,22,25)
InChIKeyQDYUEBHZSQZZFU-UHFFFAOYSA-N
XLogP3.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide (CID 2973349) is 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QDYUEBHZSQZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(2)22-21(25)13-23-12-18(17-10-6-7-11-19(17)23)20(24)14-26-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide?
2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 350.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenoxyacetyl)indol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2973349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).