N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide

C14H22N2O2 — CID 62679121

IUPACN-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(2,3)13(17)16-8-9-18-12-7-5-6-11(15)10-12/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXLNMWYGJUOPHFL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide

N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide (PubChem CID 62679121) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
PubChem CID62679121
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(2,3)13(17)16-8-9-18-12-7-5-6-11(15)10-12/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXLNMWYGJUOPHFL-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
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-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
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
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide (CID 62679121) is N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCOc1cccc(N)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide?
The InChIKey is XLNMWYGJUOPHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(2,3)13(17)16-8-9-18-12-7-5-6-11(15)10-12/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide?
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.20, 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]-2,2-dimethylbutanamide is sourced from PubChem (CID 62679121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).