ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate

C13H27N3O3 — CID 83120346

IUPACethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate
SMILESCCOC(=O)CCCCCNCCNC(=O)N(C)C
InChIInChI=1S/C13H27N3O3/c1-4-19-12(17)8-6-5-7-9-14-10-11-15-13(18)16(2)3/h14H,4-11H2,1-3H3,(H,15,18)
InChIKeyRXLGQDRYXAJYPL-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.97
Rot. Bonds10

About ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate

ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate (PubChem CID 83120346) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate
PubChem CID83120346
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Nameethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate
SMILESCCOC(=O)CCCCCNCCNC(=O)N(C)C
InChIInChI=1S/C13H27N3O3/c1-4-19-12(17)8-6-5-7-9-14-10-11-15-13(18)16(2)3/h14H,4-11H2,1-3H3,(H,15,18)
InChIKeyRXLGQDRYXAJYPL-UHFFFAOYSA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate 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-(dodecylamino)ethyl]-1,1-dimethylurea
CID 83113481
ethyl 6-(5-methylsulfanylpentylamino)hexanoate
CID 114127320
diethyl icosanedioate
CID 5058538
ethyl 6-(5,5,5-trifluoropentylamino)hexanoate
CID 115518858
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
diethyl hexanedioate
CID 160747628
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
sodium;diethyl decanedioate;hydride
CID 173076435

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate?
The IUPAC name of ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate (CID 83120346) is ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate.
What is the SMILES notation for ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate?
The canonical SMILES for ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate is CCOC(=O)CCCCCNCCNC(=O)N(C)C.
What is the InChIKey of ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate?
The InChIKey is RXLGQDRYXAJYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-4-19-12(17)8-6-5-7-9-14-10-11-15-13(18)16(2)3/h14H,4-11H2,1-3H3,(H,15,18).
What are the key properties of ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate?
ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate has a molecular weight of 273.38 g/mol, XLogP of 0.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate is sourced from PubChem (CID 83120346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).