N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C17H26N2O6 — CID 43045435

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOCCNC(=O)CNC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H26N2O6/c1-22-8-7-18-16(21)11-19-15(20)6-5-12-9-13(23-2)17(25-4)14(10-12)24-3/h9-10H,5-8,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQTDIOUVMSHHZDS-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.52
Rot. Bonds11

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 43045435) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID43045435
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOCCNC(=O)CNC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H26N2O6/c1-22-8-7-18-16(21)11-19-15(20)6-5-12-9-13(23-2)17(25-4)14(10-12)24-3/h9-10H,5-8,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQTDIOUVMSHHZDS-UHFFFAOYSA-N
XLogP0.52
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide
CID 111146228
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 101118600
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 30542602
N-[2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 127021007
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55726601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 43045435) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COCCNC(=O)CNC(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is QTDIOUVMSHHZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-22-8-7-18-16(21)11-19-15(20)6-5-12-9-13(23-2)17(25-4)14(10-12)24-3/h9-10H,5-8,11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 354.40 g/mol, XLogP of 0.52, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 43045435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).