2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide

C13H20N2O2 — CID 82982515

IUPAC2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(C)c1ccccc1O
InChIInChI=1S/C13H20N2O2/c1-4-15(9-13(17)14-3)10(2)11-7-5-6-8-12(11)16/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)
InChIKeyAMBUXXZJHJILIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds5

About 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide

2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide (PubChem CID 82982515) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
PubChem CID82982515
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(C)c1ccccc1O
InChIInChI=1S/C13H20N2O2/c1-4-15(9-13(17)14-3)10(2)11-7-5-6-8-12(11)16/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)
InChIKeyAMBUXXZJHJILIH-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
CID 55022365
2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
CID 55017596
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
N-methyl-2-[(1-oxo-1-phenylbutan-2-yl)-propylamino]acetamide
CID 62035767

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide (CID 82982515) is 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide is CCN(CC(=O)NC)C(C)c1ccccc1O.
What is the InChIKey of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide?
The InChIKey is AMBUXXZJHJILIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(9-13(17)14-3)10(2)11-7-5-6-8-12(11)16/h5-8,10,16H,4,9H2,1-3H3,(H,14,17).
What are the key properties of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide?
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide is sourced from PubChem (CID 82982515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).