4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen

C18H42N2O5 — CID 162749894

IUPAC4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
SMILESCCNCCCOCCOCCOCCCNC(=O)CCCOCC.[H][H].[H][H]
InChIInChI=1S/C18H38N2O5.2H2/c1-3-19-9-6-12-23-14-16-25-17-15-24-13-7-10-20-18(21)8-5-11-22-4-2;;/h19H,3-17H2,1-2H3,(H,20,21);2*1H
InChIKeyAOBOVJBBTWBWLP-UHFFFAOYSA-N
MW366.54 g/mol
LogP1.85
Rot. Bonds20

About 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen

4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen (PubChem CID 162749894) has the molecular formula C18H42N2O5 and a molecular weight of 366.54 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen.

Molecular Properties

Compound Name4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
PubChem CID162749894
Molecular FormulaC18H42N2O5
Molecular Weight366.54 g/mol
Exact Mass366.31
IUPAC Name4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
SMILESCCNCCCOCCOCCOCCCNC(=O)CCCOCC.[H][H].[H][H]
InChIInChI=1S/C18H38N2O5.2H2/c1-3-19-9-6-12-23-14-16-25-17-15-24-13-7-10-20-18(21)8-5-11-22-4-2;;/h19H,3-17H2,1-2H3,(H,20,21);2*1H
InChIKeyAOBOVJBBTWBWLP-UHFFFAOYSA-N
XLogP1.85
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
N'-[3-[2-[2-[3-(3-chloropropanoylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 126550925
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
3-[3-(ethylamino)propoxy]propylurea
CID 22381168
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen?
The IUPAC name of 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen (CID 162749894) is 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen.
What is the SMILES notation for 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen?
The canonical SMILES for 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen is CCNCCCOCCOCCOCCCNC(=O)CCCOCC.[H][H].[H][H].
What is the InChIKey of 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen?
The InChIKey is AOBOVJBBTWBWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O5.2H2/c1-3-19-9-6-12-23-14-16-25-17-15-24-13-7-10-20-18(21)8-5-11-22-4-2;;/h19H,3-17H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen?
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen has a molecular weight of 366.54 g/mol, XLogP of 1.85, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen is sourced from PubChem (CID 162749894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).