2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide

C14H22N2O2 — CID 16773407

IUPAC2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)9-16-14(17)10-18-13-5-3-12(4-6-13)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyWFUIYRULIVOATI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide

2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 16773407) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID16773407
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)9-16-14(17)10-18-13-5-3-12(4-6-13)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyWFUIYRULIVOATI-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide (CID 16773407) is 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is WFUIYRULIVOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)9-16-14(17)10-18-13-5-3-12(4-6-13)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16773407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).