N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide

C13H18N2O2 — CID 63237413

IUPACN-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C13H18N2O2/c1-10(2)8-13(16)15-6-7-17-12-5-3-4-11(14)9-12/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyJKLWUYMJSIKYJE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide

N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide (PubChem CID 63237413) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
PubChem CID63237413
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C13H18N2O2/c1-10(2)8-13(16)15-6-7-17-12-5-3-4-11(14)9-12/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyJKLWUYMJSIKYJE-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
1-[2-(3-aminophenoxy)ethyl]-3-methylthiourea
CID 84816849
N-[3-[3-(3-aminophenyl)phenoxy]propyl]acetamide
CID 162362116
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
N-[2-(3-aminophenoxy)ethyl]-1-propylpyrrole-2-carboxamide
CID 63237364
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide (CID 63237413) is N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCCOc1cccc(N)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide?
The InChIKey is JKLWUYMJSIKYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)8-13(16)15-6-7-17-12-5-3-4-11(14)9-12/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide?
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.73, 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]-3-methylbut-2-enamide is sourced from PubChem (CID 63237413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).