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

C18H28N2O5 — CID 55370350

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-6-19-16(21)12-20(7-2)17(22)9-8-13-10-14(23-3)18(25-5)15(11-13)24-4/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKeyLQEKZWJKUNZOKX-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.63
Rot. Bonds10

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

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55370350) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55370350
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-6-19-16(21)12-20(7-2)17(22)9-8-13-10-14(23-3)18(25-5)15(11-13)24-4/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKeyLQEKZWJKUNZOKX-UHFFFAOYSA-N
XLogP1.63
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
N,N-diethyl-2-[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009895
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43045435
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2364022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55370350) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is CCNC(=O)CN(CC)C(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is LQEKZWJKUNZOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-6-19-16(21)12-20(7-2)17(22)9-8-13-10-14(23-3)18(25-5)15(11-13)24-4/h10-11H,6-9,12H2,1-5H3,(H,19,21).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55370350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).