3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide

C14H20N2O4 — CID 82829175

IUPAC3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H20N2O4/c1-10-11(5-4-6-12(10)17)14(19)16(2)9-13(18)15-7-8-20-3/h4-6,17H,7-9H2,1-3H3,(H,15,18)
InChIKeyRTTMIFJGBBSLIW-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.54
Rot. Bonds6

About 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide

3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide (PubChem CID 82829175) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
PubChem CID82829175
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H20N2O4/c1-10-11(5-4-6-12(10)17)14(19)16(2)9-13(18)15-7-8-20-3/h4-6,17H,7-9H2,1-3H3,(H,15,18)
InChIKeyRTTMIFJGBBSLIW-UHFFFAOYSA-N
XLogP0.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.54
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

2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 84589607
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide
CID 9076585

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide (CID 82829175) is 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide is COCCNC(=O)CN(C)C(=O)c1cccc(O)c1C.
What is the InChIKey of 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The InChIKey is RTTMIFJGBBSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-11(5-4-6-12(10)17)14(19)16(2)9-13(18)15-7-8-20-3/h4-6,17H,7-9H2,1-3H3,(H,15,18).
What are the key properties of 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide has a molecular weight of 280.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 82829175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).