2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide

C14H22N2O2 — CID 16794372

IUPAC2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-16-14(17)9-18-13-6-4-12(5-7-13)11(3)15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyAUCAEWIPNSVXOH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds6

About 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide

2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 16794372) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID16794372
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-16-14(17)9-18-13-6-4-12(5-7-13)11(3)15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyAUCAEWIPNSVXOH-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78933215
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide (CID 16794372) is 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(C(C)N)cc1.
What is the InChIKey of 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is AUCAEWIPNSVXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-16-14(17)9-18-13-6-4-12(5-7-13)11(3)15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16794372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).