N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide

C19H20N2O2 — CID 4606333

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
SMILESCc1cc2cc(CNC(=O)COc3ccccc3)ccc2n1C
InChIInChI=1S/C19H20N2O2/c1-14-10-16-11-15(8-9-18(16)21(14)2)12-20-19(22)13-23-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyYPFLGYCXKAHFLY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide (PubChem CID 4606333) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
PubChem CID4606333
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
SMILESCc1cc2cc(CNC(=O)COc3ccccc3)ccc2n1C
InChIInChI=1S/C19H20N2O2/c1-14-10-16-11-15(8-9-18(16)21(14)2)12-20-19(22)13-23-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyYPFLGYCXKAHFLY-UHFFFAOYSA-N
XLogP3.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide (CID 4606333) is N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide is Cc1cc2cc(CNC(=O)COc3ccccc3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide?
The InChIKey is YPFLGYCXKAHFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-10-16-11-15(8-9-18(16)21(14)2)12-20-19(22)13-23-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 4606333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).