2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide

C14H22N2O2 — CID 103459940

IUPAC2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
SMILESCCC(C)(C)CNC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(2,3)10-16-13(17)9-18-12-7-5-6-11(15)8-12/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyLCQFZAVAMTYECR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds6

About 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide

2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide (PubChem CID 103459940) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
PubChem CID103459940
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
SMILESCCC(C)(C)CNC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(2,3)10-16-13(17)9-18-12-7-5-6-11(15)8-12/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyLCQFZAVAMTYECR-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide
CID 65241508
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide (CID 103459940) is 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide is CCC(C)(C)CNC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide?
The InChIKey is LCQFZAVAMTYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(2,3)10-16-13(17)9-18-12-7-5-6-11(15)8-12/h5-8H,4,9-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide?
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide 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 2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 103459940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).