ethane;3-propoxy-N-propylpropanamide

C13H31NO2 — CID 163269237

IUPACethane;3-propoxy-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCOCCC
InChIInChI=1S/C9H19NO2.2C2H6/c1-3-6-10-9(11)5-8-12-7-4-2;2*1-2/h3-8H2,1-2H3,(H,10,11);2*1-2H3
InChIKeyOTUCPGDTFJLLNM-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.38
Rot. Bonds7

About ethane;3-propoxy-N-propylpropanamide

ethane;3-propoxy-N-propylpropanamide (PubChem CID 163269237) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;3-propoxy-N-propylpropanamide.

Molecular Properties

Compound Nameethane;3-propoxy-N-propylpropanamide
PubChem CID163269237
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC Nameethane;3-propoxy-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCOCCC
InChIInChI=1S/C9H19NO2.2C2H6/c1-3-6-10-9(11)5-8-12-7-4-2;2*1-2/h3-8H2,1-2H3,(H,10,11);2*1-2H3
InChIKeyOTUCPGDTFJLLNM-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-propoxy-N-propylpropanamide 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

3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
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
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
CID 178049904
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600

Frequently Asked Questions

What is the IUPAC name of ethane;3-propoxy-N-propylpropanamide?
The IUPAC name of ethane;3-propoxy-N-propylpropanamide (CID 163269237) is ethane;3-propoxy-N-propylpropanamide.
What is the SMILES notation for ethane;3-propoxy-N-propylpropanamide?
The canonical SMILES for ethane;3-propoxy-N-propylpropanamide is CC.CC.CCCNC(=O)CCOCCC.
What is the InChIKey of ethane;3-propoxy-N-propylpropanamide?
The InChIKey is OTUCPGDTFJLLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.2C2H6/c1-3-6-10-9(11)5-8-12-7-4-2;2*1-2/h3-8H2,1-2H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;3-propoxy-N-propylpropanamide?
ethane;3-propoxy-N-propylpropanamide has a molecular weight of 233.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propoxy-N-propylpropanamide is sourced from PubChem (CID 163269237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).