N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide

C14H20N2O4 — CID 78908462

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O4/c1-10(16-14(17)8-15-5-6-18-2)11-3-4-12-13(7-11)20-9-19-12/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyHJASXLXQMBLIMO-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.83
Rot. Bonds7

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 78908462) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
PubChem CID78908462
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O4/c1-10(16-14(17)8-15-5-6-18-2)11-3-4-12-13(7-11)20-9-19-12/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyHJASXLXQMBLIMO-UHFFFAOYSA-N
XLogP0.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60853625
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 60868181
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
5-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 39853266
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 84984720
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide (CID 78908462) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is HJASXLXQMBLIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(16-14(17)8-15-5-6-18-2)11-3-4-12-13(7-11)20-9-19-12/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 78908462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).