butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate

C11H22N2O3 — CID 61067683

IUPACbutyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
SMILESCCCCOC(=O)CN(CC)CC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-4-6-7-16-11(15)9-13(5-2)8-10(14)12-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyYCDBYJJGUDGRTG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds8

About butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate

butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate (PubChem CID 61067683) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namebutyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
PubChem CID61067683
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namebutyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
SMILESCCCCOC(=O)CN(CC)CC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-4-6-7-16-11(15)9-13(5-2)8-10(14)12-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyYCDBYJJGUDGRTG-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
butyl 2-(dimethylamino)acetate;methane
CID 157088664
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
CID 142778230
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 66337491
butyl 2-(methylamino)acetate;methane
CID 157477406
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
nonyl 8-[[4-(methylamino)-4-oxobutyl]-octylamino]octanoate
CID 166798426
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814

Frequently Asked Questions

What is the IUPAC name of butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate (CID 61067683) is butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate is CCCCOC(=O)CN(CC)CC(=O)NC.
What is the InChIKey of butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
The InChIKey is YCDBYJJGUDGRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-7-16-11(15)9-13(5-2)8-10(14)12-3/h4-9H2,1-3H3,(H,12,14).
What are the key properties of butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 61067683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).