2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide

C13H20N2O2 — CID 79479633

IUPAC2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)COCCN)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(12-5-3-2-4-6-12)9-15-13(16)10-17-8-7-14/h2-6,11H,7-10,14H2,1H3,(H,15,16)
InChIKeyFKGRQLNOLJQDCH-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.88
Rot. Bonds7

About 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide

2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide (PubChem CID 79479633) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide
PubChem CID79479633
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)COCCN)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(12-5-3-2-4-6-12)9-15-13(16)10-17-8-7-14/h2-6,11H,7-10,14H2,1H3,(H,15,16)
InChIKeyFKGRQLNOLJQDCH-UHFFFAOYSA-N
XLogP0.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylpropyl)acetamide
CID 112605060
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209242
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
CID 62686641
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethylbenzoate
CID 8535856
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide (CID 79479633) is 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide is CC(CNC(=O)COCCN)c1ccccc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide?
The InChIKey is FKGRQLNOLJQDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(12-5-3-2-4-6-12)9-15-13(16)10-17-8-7-14/h2-6,11H,7-10,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide?
2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 79479633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).