N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide

C20H20N4O2 — CID 118735776

IUPACN-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide
SMILESCCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CNC)cc3)ccc21
InChIInChI=1S/C20H20N4O2/c1-3-24-13-14(11-21)18-10-17(8-9-19(18)24)26-16-6-4-15(5-7-16)23-20(25)12-22-2/h4-10,13,22H,3,12H2,1-2H3,(H,23,25)
InChIKeyFIPDFGXVCDUJQL-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.48
Rot. Bonds6

About N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide

N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide (PubChem CID 118735776) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide
PubChem CID118735776
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide
SMILESCCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CNC)cc3)ccc21
InChIInChI=1S/C20H20N4O2/c1-3-24-13-14(11-21)18-10-17(8-9-19(18)24)26-16-6-4-15(5-7-16)23-20(25)12-22-2/h4-10,13,22H,3,12H2,1-2H3,(H,23,25)
InChIKeyFIPDFGXVCDUJQL-UHFFFAOYSA-N
XLogP3.48
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide (CID 118735776) is N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide is CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CNC)cc3)ccc21.
What is the InChIKey of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide?
The InChIKey is FIPDFGXVCDUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-24-13-14(11-21)18-10-17(8-9-19(18)24)26-16-6-4-15(5-7-16)23-20(25)12-22-2/h4-10,13,22H,3,12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide?
N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 118735776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).