N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide

C16H26N2O2 — CID 63832503

IUPACN-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCOc1ccccc1N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-12(16(2,3)4)11-15(19)18-9-10-20-14-8-6-5-7-13(14)17/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyAYKGGFZVJPCJDR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide

N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide (PubChem CID 63832503) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide
PubChem CID63832503
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCOc1ccccc1N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-12(16(2,3)4)11-15(19)18-9-10-20-14-8-6-5-7-13(14)17/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyAYKGGFZVJPCJDR-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.84
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

3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
CID 104827234
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
CID 61458712
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide (CID 63832503) is N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide is CC(CC(=O)NCCOc1ccccc1N)C(C)(C)C.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide?
The InChIKey is AYKGGFZVJPCJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(16(2,3)4)11-15(19)18-9-10-20-14-8-6-5-7-13(14)17/h5-8,12H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide?
N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63832503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).