N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide

C16H24N2O2 — CID 107174861

IUPACN-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-4-7-14(16)15(19)18-9-10-20-13-6-3-5-12(17)11-13/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyRIFLGWPMFVIGMD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174861) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174861
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-4-7-14(16)15(19)18-9-10-20-13-6-3-5-12(17)11-13/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyRIFLGWPMFVIGMD-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
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
N-[2-(3-aminophenoxy)ethyl]thiane-2-carboxamide
CID 80593925
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855622
2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107174861) is N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCCOc1cccc(N)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is RIFLGWPMFVIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)8-4-7-14(16)15(19)18-9-10-20-13-6-3-5-12(17)11-13/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.59, 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]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).