4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide

C19H38N2O6 — CID 59185260

IUPAC4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOCCCNC(=O)COCC(COC)OC
InChIInChI=1S/C19H38N2O6/c1-4-5-6-10-20-18(22)9-7-12-26-13-8-11-21-19(23)16-27-15-17(25-3)14-24-2/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMZJXEIKJMCHBSX-UHFFFAOYSA-N
MW390.52 g/mol
LogP1.27
Rot. Bonds19

About 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide

4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide (PubChem CID 59185260) has the molecular formula C19H38N2O6 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide.

Molecular Properties

Compound Name4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide
PubChem CID59185260
Molecular FormulaC19H38N2O6
Molecular Weight390.52 g/mol
Exact Mass390.27
IUPAC Name4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOCCCNC(=O)COCC(COC)OC
InChIInChI=1S/C19H38N2O6/c1-4-5-6-10-20-18(22)9-7-12-26-13-8-11-21-19(23)16-27-15-17(25-3)14-24-2/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMZJXEIKJMCHBSX-UHFFFAOYSA-N
XLogP1.27
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide 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'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
methane;3-methoxy-N-pentylpropanamide
CID 157319265
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
CID 59185255
N,N'-bis(3-dodecoxypropyl)decanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]dodecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis(3-methoxypropyl)decanediamide;N,N'-bis(3-methoxypropyl)dodecanediamide;N,N'-bis(3-methoxypropyl)icosanediamide
CID 161275900
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
2-[4-(dodecylamino)-4-oxobutoxy]ethyl 2-chloroacetate
CID 13060242
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide?
The IUPAC name of 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide (CID 59185260) is 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide.
What is the SMILES notation for 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide?
The canonical SMILES for 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide is CCCCCNC(=O)CCCOCCCNC(=O)COCC(COC)OC.
What is the InChIKey of 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide?
The InChIKey is MZJXEIKJMCHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O6/c1-4-5-6-10-20-18(22)9-7-12-26-13-8-11-21-19(23)16-27-15-17(25-3)14-24-2/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide?
4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide has a molecular weight of 390.52 g/mol, XLogP of 1.27, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide is sourced from PubChem (CID 59185260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).