4-[bis(2-methoxyethyl)amino]butan-2-one

C10H21NO3 — CID 60649279

IUPAC4-[bis(2-methoxyethyl)amino]butan-2-one
SMILESCOCCN(CCOC)CCC(C)=O
InChIInChI=1S/C10H21NO3/c1-10(12)4-5-11(6-8-13-2)7-9-14-3/h4-9H2,1-3H3
InChIKeyDCMKGXZZGZYFEB-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.56
Rot. Bonds9

About 4-[bis(2-methoxyethyl)amino]butan-2-one

4-[bis(2-methoxyethyl)amino]butan-2-one (PubChem CID 60649279) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]butan-2-one
PubChem CID60649279
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[bis(2-methoxyethyl)amino]butan-2-one
SMILESCOCCN(CCOC)CCC(C)=O
InChIInChI=1S/C10H21NO3/c1-10(12)4-5-11(6-8-13-2)7-9-14-3/h4-9H2,1-3H3
InChIKeyDCMKGXZZGZYFEB-UHFFFAOYSA-N
XLogP0.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
CID 168813653
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate
CID 161393191
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
N-[2-[bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]butan-2-one?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]butan-2-one (CID 60649279) is 4-[bis(2-methoxyethyl)amino]butan-2-one.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]butan-2-one?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]butan-2-one is COCCN(CCOC)CCC(C)=O.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]butan-2-one?
The InChIKey is DCMKGXZZGZYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(12)4-5-11(6-8-13-2)7-9-14-3/h4-9H2,1-3H3.
What are the key properties of 4-[bis(2-methoxyethyl)amino]butan-2-one?
4-[bis(2-methoxyethyl)amino]butan-2-one has a molecular weight of 203.28 g/mol, XLogP of 0.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]butan-2-one is sourced from PubChem (CID 60649279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).