methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate

C12H24N2O4 — CID 103868364

IUPACmethyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
SMILESCCCCC(NCC(=O)NCCOC)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-4-5-6-10(12(16)18-3)14-9-11(15)13-7-8-17-2/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyIVUFPARZGXVHMM-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.07
Rot. Bonds10

About methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate

methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate (PubChem CID 103868364) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
PubChem CID103868364
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
SMILESCCCCC(NCC(=O)NCCOC)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-4-5-6-10(12(16)18-3)14-9-11(15)13-7-8-17-2/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyIVUFPARZGXVHMM-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
N-(2-methoxyethyl)-2-(nonylamino)acetamide
CID 115574845
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 60546576
methyl 2-(propylamino)octanoate
CID 60795997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate?
The IUPAC name of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate (CID 103868364) is methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate?
The canonical SMILES for methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate is CCCCC(NCC(=O)NCCOC)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate?
The InChIKey is IVUFPARZGXVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-5-6-10(12(16)18-3)14-9-11(15)13-7-8-17-2/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate?
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate has a molecular weight of 260.33 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate is sourced from PubChem (CID 103868364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).