2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide

C14H22N2O3 — CID 104758382

IUPAC2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3/c1-11(2)18-8-7-16-14(17)10-19-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyZTSGUZLTUNBAPO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.07
Rot. Bonds8

About 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 104758382) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID104758382
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3/c1-11(2)18-8-7-16-14(17)10-19-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyZTSGUZLTUNBAPO-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.07
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-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104764609
2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033671
methyl 4-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]butanoate
CID 106484765
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18272291
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide (CID 104758382) is 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is ZTSGUZLTUNBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)18-8-7-16-14(17)10-19-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 104758382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).