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

C12H16N2O2 — CID 39244343

IUPACN-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
SMILESNc1cccc(OCCNC(=O)C2CC2)c1
InChIInChI=1S/C12H16N2O2/c13-10-2-1-3-11(8-10)16-7-6-14-12(15)9-4-5-9/h1-3,8-9H,4-7,13H2,(H,14,15)
InChIKeyKUPMSERTTGGPRD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.17
Rot. Bonds5

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

N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide (PubChem CID 39244343) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
PubChem CID39244343
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
SMILESNc1cccc(OCCNC(=O)C2CC2)c1
InChIInChI=1S/C12H16N2O2/c13-10-2-1-3-11(8-10)16-7-6-14-12(15)9-4-5-9/h1-3,8-9H,4-7,13H2,(H,14,15)
InChIKeyKUPMSERTTGGPRD-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.17
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]thiane-2-carboxamide
CID 80593925
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174861
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119734978
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide (CID 39244343) is N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide is Nc1cccc(OCCNC(=O)C2CC2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide?
The InChIKey is KUPMSERTTGGPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-2-1-3-11(8-10)16-7-6-14-12(15)9-4-5-9/h1-3,8-9H,4-7,13H2,(H,14,15).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide?
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.17, 5 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]cyclopropanecarboxamide is sourced from PubChem (CID 39244343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).