2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

C14H22N2O3 — CID 107150626

IUPAC2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1N
InChIInChI=1S/C14H22N2O3/c1-10(2)7-11(17)8-16-14(18)9-19-13-6-4-3-5-12(13)15/h3-6,10-11,17H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyWGNFULDBGCAHFF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.17
Rot. Bonds7

About 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 107150626) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID107150626
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1N
InChIInChI=1S/C14H22N2O3/c1-10(2)7-11(17)8-16-14(18)9-19-13-6-4-3-5-12(13)15/h3-6,10-11,17H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyWGNFULDBGCAHFF-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
CID 55108500
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (CID 107150626) is 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide is CC(C)CC(O)CNC(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The InChIKey is WGNFULDBGCAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)7-11(17)8-16-14(18)9-19-13-6-4-3-5-12(13)15/h3-6,10-11,17H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 107150626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).