N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide

C17H26N2O5 — CID 31369496

IUPACN-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C17H26N2O5/c1-7-19(8-2)16(20)11-18(3)17(21)12-9-14(23-5)15(24-6)10-13(12)22-4/h9-10H,7-8,11H2,1-6H3
InChIKeyZMLGWVGFAMCSTP-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide

N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide (PubChem CID 31369496) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
PubChem CID31369496
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C17H26N2O5/c1-7-19(8-2)16(20)11-18(3)17(21)12-9-14(23-5)15(24-6)10-13(12)22-4/h9-10H,7-8,11H2,1-6H3
InChIKeyZMLGWVGFAMCSTP-UHFFFAOYSA-N
XLogP1.65
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
CID 39948024
2-methyl-3-[methyl-(2,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 119228595
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
N,N-diethyl-2-[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009895
N,N-diethyl-2-[[N-ethyl-N'-[(2,4,6-trimethoxyphenyl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010348
2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid
CID 119346216
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
N-ethyl-2,4-dimethoxy-N-methyl-5-sulfamoylbenzamide
CID 65375421

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide (CID 31369496) is N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is ZMLGWVGFAMCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-7-19(8-2)16(20)11-18(3)17(21)12-9-14(23-5)15(24-6)10-13(12)22-4/h9-10H,7-8,11H2,1-6H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide?
N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 338.40 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 31369496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).