N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide

C14H19N3O2 — CID 60881968

IUPACN-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1ccccc1OCC(=O)NCCC#N
InChIInChI=1S/C14H19N3O2/c1-2-16-10-12-6-3-4-7-13(12)19-11-14(18)17-9-5-8-15/h3-4,6-7,16H,2,5,9-11H2,1H3,(H,17,18)
InChIKeyFEZUWQGUWVVHJM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds8

About N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide

N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide (PubChem CID 60881968) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
PubChem CID60881968
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1ccccc1OCC(=O)NCCC#N
InChIInChI=1S/C14H19N3O2/c1-2-16-10-12-6-3-4-7-13(12)19-11-14(18)17-9-5-8-15/h3-4,6-7,16H,2,5,9-11H2,1H3,(H,17,18)
InChIKeyFEZUWQGUWVVHJM-UHFFFAOYSA-N
XLogP1.20
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-cyanoethyl)acetamide
CID 60882577
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
CID 43221379
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 60879269
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61487053
N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 106484641
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776242
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107694739

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide (CID 60881968) is N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide is CCNCc1ccccc1OCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide?
The InChIKey is FEZUWQGUWVVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-10-12-6-3-4-7-13(12)19-11-14(18)17-9-5-8-15/h3-4,6-7,16H,2,5,9-11H2,1H3,(H,17,18).
What are the key properties of N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide?
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 60881968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).