N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide

C14H19N3O3 — CID 63057420

IUPACN-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCOCCNCc1cccc(OCC(=O)NCC#N)c1
InChIInChI=1S/C14H19N3O3/c1-19-8-7-16-10-12-3-2-4-13(9-12)20-11-14(18)17-6-5-15/h2-4,9,16H,6-8,10-11H2,1H3,(H,17,18)
InChIKeyHYMNLTGRONRBAK-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.44
Rot. Bonds9

About N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide

N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide (PubChem CID 63057420) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
PubChem CID63057420
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCOCCNCc1cccc(OCC(=O)NCC#N)c1
InChIInChI=1S/C14H19N3O3/c1-19-8-7-16-10-12-3-2-4-13(9-12)20-11-14(18)17-6-5-15/h2-4,9,16H,6-8,10-11H2,1H3,(H,17,18)
InChIKeyHYMNLTGRONRBAK-UHFFFAOYSA-N
XLogP0.44
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057253
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
2-[3-[(tert-butylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 63055877
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-[3-[[3-(2-methoxyethoxy)propylamino]methyl]phenoxy]acetonitrile
CID 43770866
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide (CID 63057420) is N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide is COCCNCc1cccc(OCC(=O)NCC#N)c1.
What is the InChIKey of N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The InChIKey is HYMNLTGRONRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-8-7-16-10-12-3-2-4-13(9-12)20-11-14(18)17-6-5-15/h2-4,9,16H,6-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 63057420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).