2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide

C13H28N2O2 — CID 89020841

IUPAC2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide
SMILESCCCN(CC)CC(CC)C(=O)NCCOC
InChIInChI=1S/C13H28N2O2/c1-5-9-15(7-3)11-12(6-2)13(16)14-8-10-17-4/h12H,5-11H2,1-4H3,(H,14,16)
InChIKeyLLCOTSVFGUMQDA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.51
Rot. Bonds10

About 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide

2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide (PubChem CID 89020841) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide
PubChem CID89020841
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide
SMILESCCCN(CC)CC(CC)C(=O)NCCOC
InChIInChI=1S/C13H28N2O2/c1-5-9-15(7-3)11-12(6-2)13(16)14-8-10-17-4/h12H,5-11H2,1-4H3,(H,14,16)
InChIKeyLLCOTSVFGUMQDA-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
N'-ethyl-N'-(2-ethylbutyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62574596
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
CID 115666547
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482433
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 81099300
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide?
The IUPAC name of 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide (CID 89020841) is 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide is CCCN(CC)CC(CC)C(=O)NCCOC.
What is the InChIKey of 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide?
The InChIKey is LLCOTSVFGUMQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-9-15(7-3)11-12(6-2)13(16)14-8-10-17-4/h12H,5-11H2,1-4H3,(H,14,16).
What are the key properties of 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide?
2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)amino]methyl]-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 89020841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).