2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide

C12H17ClN2O4 — CID 106235635

IUPAC2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cc(Cl)cc(CNCCOCC(N)=O)c1O
InChIInChI=1S/C12H17ClN2O4/c1-18-10-5-9(13)4-8(12(10)17)6-15-2-3-19-7-11(14)16/h4-5,15,17H,2-3,6-7H2,1H3,(H2,14,16)
InChIKeyCFKOQINGVUKZMG-UHFFFAOYSA-N
MW288.73 g/mol
LogP0.65
Rot. Bonds8

About 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide

2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide (PubChem CID 106235635) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
PubChem CID106235635
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC Name2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cc(Cl)cc(CNCCOCC(N)=O)c1O
InChIInChI=1S/C12H17ClN2O4/c1-18-10-5-9(13)4-8(12(10)17)6-15-2-3-19-7-11(14)16/h4-5,15,17H,2-3,6-7H2,1H3,(H2,14,16)
InChIKeyCFKOQINGVUKZMG-UHFFFAOYSA-N
XLogP0.65
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104646206
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-propylpropanamide
CID 104646157
4-chloro-2-methoxy-6-[(4-methoxybutylamino)methyl]phenol
CID 104646127
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
4-chloro-2-[(2-ethylsulfinylethylamino)methyl]-6-methoxyphenol
CID 104646346
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide (CID 106235635) is 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide is COc1cc(Cl)cc(CNCCOCC(N)=O)c1O.
What is the InChIKey of 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide?
The InChIKey is CFKOQINGVUKZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4/c1-18-10-5-9(13)4-8(12(10)17)6-15-2-3-19-7-11(14)16/h4-5,15,17H,2-3,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide?
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide has a molecular weight of 288.73 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).