2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide

C14H19N3O3 — CID 60879269

IUPAC2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
SMILESCCOc1cccc(CN)c1OCC(=O)NCCC#N
InChIInChI=1S/C14H19N3O3/c1-2-19-12-6-3-5-11(9-16)14(12)20-10-13(18)17-8-4-7-15/h3,5-6H,2,4,8-10,16H2,1H3,(H,17,18)
InChIKeyBETVFABNRRBJRU-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.95
Rot. Bonds8

About 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide

2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide (PubChem CID 60879269) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
PubChem CID60879269
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
SMILESCCOc1cccc(CN)c1OCC(=O)NCCC#N
InChIInChI=1S/C14H19N3O3/c1-2-19-12-6-3-5-11(9-16)14(12)20-10-13(18)17-8-4-7-15/h3,5-6H,2,4,8-10,16H2,1H3,(H,17,18)
InChIKeyBETVFABNRRBJRU-UHFFFAOYSA-N
XLogP0.95
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.95
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

[2-(2-cyanoethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81396527
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107694739
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 115958200
N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
CID 46568862
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide (CID 60879269) is 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide is CCOc1cccc(CN)c1OCC(=O)NCCC#N.
What is the InChIKey of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide?
The InChIKey is BETVFABNRRBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-19-12-6-3-5-11(9-16)14(12)20-10-13(18)17-8-4-7-15/h3,5-6H,2,4,8-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide?
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 60879269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).