N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide

C13H20N2O2 — CID 54908693

IUPACN,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)10-17-12-8-6-11(14-3)7-9-12/h6-9,14H,4-5,10H2,1-3H3
InChIKeyZJEZGYOTRKGLCW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.98
Rot. Bonds6

About N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide

N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 54908693) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
PubChem CID54908693
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)10-17-12-8-6-11(14-3)7-9-12/h6-9,14H,4-5,10H2,1-3H3
InChIKeyZJEZGYOTRKGLCW-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
CID 82362951
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
N,N-diethyl-2-[4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide
CID 82364486
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide (CID 54908693) is N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide is CCN(CC)C(=O)COc1ccc(NC)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is ZJEZGYOTRKGLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)10-17-12-8-6-11(14-3)7-9-12/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide?
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 54908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).