N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide

C20H39N3O6 — CID 134387196

IUPACN-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
SMILESCCNC(=O)CCOCC(C)(COCCC(=O)NCC)COCCC(=O)NCC
InChIInChI=1S/C20H39N3O6/c1-5-21-17(24)8-11-27-14-20(4,15-28-12-9-18(25)22-6-2)16-29-13-10-19(26)23-7-3/h5-16H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGTKUQGYPHOXAIT-UHFFFAOYSA-N
MW417.55 g/mol
LogP0.62
Rot. Bonds18

About N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide

N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide (PubChem CID 134387196) has the molecular formula C20H39N3O6 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
PubChem CID134387196
Molecular FormulaC20H39N3O6
Molecular Weight417.55 g/mol
Exact Mass417.28
IUPAC NameN-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
SMILESCCNC(=O)CCOCC(C)(COCCC(=O)NCC)COCCC(=O)NCC
InChIInChI=1S/C20H39N3O6/c1-5-21-17(24)8-11-27-14-20(4,15-28-12-9-18(25)22-6-2)16-29-13-10-19(26)23-7-3/h5-16H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGTKUQGYPHOXAIT-UHFFFAOYSA-N
XLogP0.62
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
3-ethoxy-N-ethylpropanamide
CID 58030283
N-ethyl-3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164717500
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
N-ethyl-3-octadecoxypropanamide
CID 169179965
7-[3-[2-(butoxymethyl)-2-methyl-3-propoxypropoxy]propanoylamino]heptanoic acid
CID 123428462
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
8-[8-[3-[3-[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]octanoylamino]octanoic acid
CID 118440203
N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide
CID 146262899
8-[3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]octanoic acid
CID 118440317

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide?
The IUPAC name of N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide (CID 134387196) is N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide?
The canonical SMILES for N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide is CCNC(=O)CCOCC(C)(COCCC(=O)NCC)COCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide?
The InChIKey is GTKUQGYPHOXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O6/c1-5-21-17(24)8-11-27-14-20(4,15-28-12-9-18(25)22-6-2)16-29-13-10-19(26)23-7-3/h5-16H2,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide?
N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide has a molecular weight of 417.55 g/mol, XLogP of 0.62, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide is sourced from PubChem (CID 134387196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).