2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

C13H20N2O4 — CID 106151936

IUPAC2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H20N2O4/c1-18-8-11(6-7-16)15-13(17)9-19-12-4-2-10(14)3-5-12/h2-5,11,16H,6-9,14H2,1H3,(H,15,17)
InChIKeyLRAOUYMWWOKRJH-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.16
Rot. Bonds8

About 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (PubChem CID 106151936) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
PubChem CID106151936
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H20N2O4/c1-18-8-11(6-7-16)15-13(17)9-19-12-4-2-10(14)3-5-12/h2-5,11,16H,6-9,14H2,1H3,(H,15,17)
InChIKeyLRAOUYMWWOKRJH-UHFFFAOYSA-N
XLogP0.16
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 106161089
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
CID 166254452
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (CID 106151936) is 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is COCC(CCO)NC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The InChIKey is LRAOUYMWWOKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-8-11(6-7-16)15-13(17)9-19-12-4-2-10(14)3-5-12/h2-5,11,16H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide has a molecular weight of 268.31 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 106151936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).