2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide

C13H20N2O3 — CID 114161954

IUPAC2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
SMILESCc1cc(CNCCOCC(N)=O)cc(C)c1O
InChIInChI=1S/C13H20N2O3/c1-9-5-11(6-10(2)13(9)17)7-15-3-4-18-8-12(14)16/h5-6,15,17H,3-4,7-8H2,1-2H3,(H2,14,16)
InChIKeyIUMXGQJWLIOJJR-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.60
Rot. Bonds7

About 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide

2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide (PubChem CID 114161954) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
PubChem CID114161954
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
SMILESCc1cc(CNCCOCC(N)=O)cc(C)c1O
InChIInChI=1S/C13H20N2O3/c1-9-5-11(6-10(2)13(9)17)7-15-3-4-18-8-12(14)16/h5-6,15,17H,3-4,7-8H2,1-2H3,(H2,14,16)
InChIKeyIUMXGQJWLIOJJR-UHFFFAOYSA-N
XLogP0.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
4-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106238468
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
2-[2-[(5-nitrothiophen-3-yl)methylamino]ethoxy]acetamide
CID 114162091
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106235635
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide (CID 114161954) is 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide is Cc1cc(CNCCOCC(N)=O)cc(C)c1O.
What is the InChIKey of 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide?
The InChIKey is IUMXGQJWLIOJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-5-11(6-10(2)13(9)17)7-15-3-4-18-8-12(14)16/h5-6,15,17H,3-4,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide?
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 114161954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).