N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide

C20H30N4O5 — CID 3208462

IUPACN'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
SMILESCOCCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C20H30N4O5/c1-15-7-8-21-17(12-15)23-18(25)5-6-20(27)24(9-11-28-2)14-19(26)22-13-16-4-3-10-29-16/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyGHZHJDMOGNTQHY-UHFFFAOYSA-N
MW406.48 g/mol
LogP0.88
Rot. Bonds11

About N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide

N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide (PubChem CID 3208462) has the molecular formula C20H30N4O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
PubChem CID3208462
Molecular FormulaC20H30N4O5
Molecular Weight406.48 g/mol
Exact Mass406.22
IUPAC NameN'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
SMILESCOCCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C20H30N4O5/c1-15-7-8-21-17(12-15)23-18(25)5-6-20(27)24(9-11-28-2)14-19(26)22-13-16-4-3-10-29-16/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyGHZHJDMOGNTQHY-UHFFFAOYSA-N
XLogP0.88
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
The IUPAC name of N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide (CID 3208462) is N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide is COCCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)ccn1.
What is the InChIKey of N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
The InChIKey is GHZHJDMOGNTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5/c1-15-7-8-21-17(12-15)23-18(25)5-6-20(27)24(9-11-28-2)14-19(26)22-13-16-4-3-10-29-16/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,22,26)(H,21,23,25).
What are the key properties of N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide has a molecular weight of 406.48 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide is sourced from PubChem (CID 3208462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).