2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide

C13H20N2O2 — CID 79479435

IUPAC2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)COCCN)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15(13(16)10-17-9-8-14)12-6-4-11(2)5-7-12/h4-7H,3,8-10,14H2,1-2H3
InChIKeyFLGPPQTXNUGLHH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds6

About 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide

2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide (PubChem CID 79479435) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
PubChem CID79479435
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)COCCN)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15(13(16)10-17-9-8-14)12-6-4-11(2)5-7-12/h4-7H,3,8-10,14H2,1-2H3
InChIKeyFLGPPQTXNUGLHH-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(4-methylphenyl)-2-propoxyacetamide
CID 113227387
2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734931
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
2-(2-aminoethoxy)-N-benzyl-N-phenylacetamide
CID 79480179
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-N-(4-methylphenyl)acetamide
CID 143038199
3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
CID 58662238
4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
CID 80543945
N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
CID 46191524

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide (CID 79479435) is 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide is CCN(C(=O)COCCN)c1ccc(C)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide?
The InChIKey is FLGPPQTXNUGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(13(16)10-17-9-8-14)12-6-4-11(2)5-7-12/h4-7H,3,8-10,14H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide?
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 79479435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).