N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide

C14H20N2O2 — CID 83146902

IUPACN-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCOc1cccc(N)c1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-6-11)14(17)16-7-8-18-13-4-2-3-12(15)9-13/h2-4,9-11H,5-8,15H2,1H3,(H,16,17)
InChIKeyOJXNSWVNQWVSCD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide

N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide (PubChem CID 83146902) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
PubChem CID83146902
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCOc1cccc(N)c1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-6-11)14(17)16-7-8-18-13-4-2-3-12(15)9-13/h2-4,9-11H,5-8,15H2,1H3,(H,16,17)
InChIKeyOJXNSWVNQWVSCD-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
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N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide
CID 63237279
N-[2-(3-aminophenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 63237235
2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide
CID 116677486
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174861
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(3-aminophenoxy)ethyl]thiane-2-carboxamide
CID 80593925
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
1-[2-(3-aminophenoxy)ethyl]-3-methylthiourea
CID 84816849
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide (CID 83146902) is N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide is CC(C(=O)NCCOc1cccc(N)c1)C1CC1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide?
The InChIKey is OJXNSWVNQWVSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-5-6-11)14(17)16-7-8-18-13-4-2-3-12(15)9-13/h2-4,9-11H,5-8,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide?
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 83146902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).