2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide

C18H18N2O2 — CID 56971010

IUPAC2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H18N2O2/c1-20(2)18(21)12-22-15-9-7-13(8-10-15)17-11-14-5-3-4-6-16(14)19-17/h3-11,19H,12H2,1-2H3
InChIKeyHSKLGFFPTHVERG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide

2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide (PubChem CID 56971010) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide
PubChem CID56971010
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H18N2O2/c1-20(2)18(21)12-22-15-9-7-13(8-10-15)17-11-14-5-3-4-6-16(14)19-17/h3-11,19H,12H2,1-2H3
InChIKeyHSKLGFFPTHVERG-UHFFFAOYSA-N
XLogP3.30
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide (CID 56971010) is 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is HSKLGFFPTHVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(2)18(21)12-22-15-9-7-13(8-10-15)17-11-14-5-3-4-6-16(14)19-17/h3-11,19H,12H2,1-2H3.
What are the key properties of 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide?
2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 294.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 56971010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).