ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen

C16H39NO3 — CID 142390095

IUPACethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
SMILESCC.CC.CCCNC(=O)CCOCCCCOCC.[H][H]
InChIInChI=1S/C12H25NO3.2C2H6.H2/c1-3-8-13-12(14)7-11-16-10-6-5-9-15-4-2;2*1-2;/h3-11H2,1-2H3,(H,13,14);2*1-2H3;1H
InChIKeyZDMXGIGPPNINNL-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.03
Rot. Bonds11

About ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen

ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen (PubChem CID 142390095) has the molecular formula C16H39NO3 and a molecular weight of 293.49 g/mol. Its IUPAC name is ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
PubChem CID142390095
Molecular FormulaC16H39NO3
Molecular Weight293.49 g/mol
Exact Mass293.29
IUPAC Nameethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
SMILESCC.CC.CCCNC(=O)CCOCCCCOCC.[H][H]
InChIInChI=1S/C12H25NO3.2C2H6.H2/c1-3-8-13-12(14)7-11-16-10-6-5-9-15-4-2;2*1-2;/h3-11H2,1-2H3,(H,13,14);2*1-2H3;1H
InChIKeyZDMXGIGPPNINNL-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen 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

ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
CID 175835823
N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen?
The IUPAC name of ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen (CID 142390095) is ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen.
What is the SMILES notation for ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen?
The canonical SMILES for ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen is CC.CC.CCCNC(=O)CCOCCCCOCC.[H][H].
What is the InChIKey of ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen?
The InChIKey is ZDMXGIGPPNINNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3.2C2H6.H2/c1-3-8-13-12(14)7-11-16-10-6-5-9-15-4-2;2*1-2;/h3-11H2,1-2H3,(H,13,14);2*1-2H3;1H.
What are the key properties of ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen?
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen has a molecular weight of 293.49 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen is sourced from PubChem (CID 142390095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).