4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide

C12H27N3O2 — CID 62843976

IUPAC4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
SMILESCOCCN(C)CCNCCCC(=O)N(C)C
InChIInChI=1S/C12H27N3O2/c1-14(2)12(16)6-5-7-13-8-9-15(3)10-11-17-4/h13H,5-11H2,1-4H3
InChIKeyVDABSRZOWNNDJG-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.02
Rot. Bonds10

About 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide

4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide (PubChem CID 62843976) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
PubChem CID62843976
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
SMILESCOCCN(C)CCNCCCC(=O)N(C)C
InChIInChI=1S/C12H27N3O2/c1-14(2)12(16)6-5-7-13-8-9-15(3)10-11-17-4/h13H,5-11H2,1-4H3
InChIKeyVDABSRZOWNNDJG-UHFFFAOYSA-N
XLogP0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide 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-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62843102
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
3-methoxy-N,N-dimethylpropanamide
CID 159478663
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide (CID 62843976) is 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide is COCCN(C)CCNCCCC(=O)N(C)C.
What is the InChIKey of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide?
The InChIKey is VDABSRZOWNNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-14(2)12(16)6-5-7-13-8-9-15(3)10-11-17-4/h13H,5-11H2,1-4H3.
What are the key properties of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide?
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide has a molecular weight of 245.37 g/mol, XLogP of 0.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 62843976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).