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

C19H18N4O2 — CID 118735775

IUPAC2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide
SMILESCCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc21
InChIInChI=1S/C19H18N4O2/c1-2-23-12-13(10-20)17-9-16(7-8-18(17)23)25-15-5-3-14(4-6-15)22-19(24)11-21/h3-9,12H,2,11,21H2,1H3,(H,22,24)
InChIKeyWCOKYGLNANNIJT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.22
Rot. Bonds5

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

2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide (PubChem CID 118735775) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide
PubChem CID118735775
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide
SMILESCCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc21
InChIInChI=1S/C19H18N4O2/c1-2-23-12-13(10-20)17-9-16(7-8-18(17)23)25-15-5-3-14(4-6-15)22-19(24)11-21/h3-9,12H,2,11,21H2,1H3,(H,22,24)
InChIKeyWCOKYGLNANNIJT-UHFFFAOYSA-N
XLogP3.22
TPSA93.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide (CID 118735775) is 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide is CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc21.
What is the InChIKey of 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide?
The InChIKey is WCOKYGLNANNIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-23-12-13(10-20)17-9-16(7-8-18(17)23)25-15-5-3-14(4-6-15)22-19(24)11-21/h3-9,12H,2,11,21H2,1H3,(H,22,24).
What are the key properties of 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide?
2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]acetamide is sourced from PubChem (CID 118735775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).