N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide

C12H18N2O3 — CID 113219820

IUPACN-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O3/c1-14(10-3-5-11(15)6-4-10)12(16)9-13-7-8-17-2/h3-6,13,15H,7-9H2,1-2H3
InChIKeyRPBWSRDDIHISMM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.59
Rot. Bonds6

About N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide

N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 113219820) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID113219820
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O3/c1-14(10-3-5-11(15)6-4-10)12(16)9-13-7-8-17-2/h3-6,13,15H,7-9H2,1-2H3
InChIKeyRPBWSRDDIHISMM-UHFFFAOYSA-N
XLogP0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281989
N-(4-hydroxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 103606278
2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 79282267
N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide
CID 108506421
1-(4-hydroxyphenyl)-3-(3-methoxypropyl)-1-methylthiourea
CID 3940621
2-(2-methoxyethylamino)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753328
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-N-(4-methylphenyl)acetamide
CID 143038199
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
CID 62716161

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide (CID 113219820) is N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is RPBWSRDDIHISMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(10-3-5-11(15)6-4-10)12(16)9-13-7-8-17-2/h3-6,13,15H,7-9H2,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide?
N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 113219820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).