2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide

C13H18N2O2 — CID 16783350

IUPAC2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
SMILESCC(N)c1cccc(OCC(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-9(14)10-3-2-4-12(7-10)17-8-13(16)15-11-5-6-11/h2-4,7,9,11H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyZBDHGNGUFGTMMJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide

2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide (PubChem CID 16783350) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
PubChem CID16783350
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
SMILESCC(N)c1cccc(OCC(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-9(14)10-3-2-4-12(7-10)17-8-13(16)15-11-5-6-11/h2-4,7,9,11H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyZBDHGNGUFGTMMJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
CID 63367378
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 18870146
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide (CID 16783350) is 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide is CC(N)c1cccc(OCC(=O)NC2CC2)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide?
The InChIKey is ZBDHGNGUFGTMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(14)10-3-2-4-12(7-10)17-8-13(16)15-11-5-6-11/h2-4,7,9,11H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide?
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 16783350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).