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

C13H18N2O2 — CID 54930762

IUPAC2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
SMILESNCCc1cccc(OCC(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2O2/c14-7-6-10-2-1-3-12(8-10)17-9-13(16)15-11-4-5-11/h1-3,8,11H,4-7,9,14H2,(H,15,16)
InChIKeyWXUKUYAMZWOJRQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.85
Rot. Bonds6

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

2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide (PubChem CID 54930762) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
PubChem CID54930762
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
SMILESNCCc1cccc(OCC(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2O2/c14-7-6-10-2-1-3-12(8-10)17-9-13(16)15-11-4-5-11/h1-3,8,11H,4-7,9,14H2,(H,15,16)
InChIKeyWXUKUYAMZWOJRQ-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 54930853
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide (CID 54930762) is 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide is NCCc1cccc(OCC(=O)NC2CC2)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide?
The InChIKey is WXUKUYAMZWOJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-7-6-10-2-1-3-12(8-10)17-9-13(16)15-11-4-5-11/h1-3,8,11H,4-7,9,14H2,(H,15,16).
What are the key properties of 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide?
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide has a molecular weight of 234.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 54930762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).