2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide

C15H19N3O4 — CID 108537298

IUPAC2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)CC#N
InChIInChI=1S/C15H19N3O4/c1-2-21-12-5-3-4-6-13(12)22-11-15(20)18-10-9-17-14(19)7-8-16/h3-6H,2,7,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOHDSEUSCORTVLJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.61
Rot. Bonds9

About 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide

2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 108537298) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID108537298
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)CC#N
InChIInChI=1S/C15H19N3O4/c1-2-21-12-5-3-4-6-13(12)22-11-15(20)18-10-9-17-14(19)7-8-16/h3-6H,2,7,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOHDSEUSCORTVLJ-UHFFFAOYSA-N
XLogP0.61
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
N-cyano-2-(2-ethoxyphenoxy)acetamide
CID 79194263
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 60879269
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108541135

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide (CID 108537298) is 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide is CCOc1ccccc1OCC(=O)NCCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is OHDSEUSCORTVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-21-12-5-3-4-6-13(12)22-11-15(20)18-10-9-17-14(19)7-8-16/h3-6H,2,7,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide?
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 305.33 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 108537298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).