ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate

C11H22N2O3 — CID 3412732

IUPACethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCCN(CC)CC
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)9-7-8-12-10(14)11(15)16-6-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyIFSVANPYFLDULF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds7

About ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate

ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate (PubChem CID 3412732) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
PubChem CID3412732
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCCN(CC)CC
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)9-7-8-12-10(14)11(15)16-6-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyIFSVANPYFLDULF-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate 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

ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
ethyl 2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoacetate
CID 62635568
ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277
N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108524636
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
CID 108893604
N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
N-[3-(diethylamino)propyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517232
3-[ethyl(2-methoxyethyl)amino]propylurea
CID 89337581

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate (CID 3412732) is ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCCN(CC)CC.
What is the InChIKey of ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate?
The InChIKey is IFSVANPYFLDULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-13(5-2)9-7-8-12-10(14)11(15)16-6-3/h4-9H2,1-3H3,(H,12,14).
What are the key properties of ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate?
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate is sourced from PubChem (CID 3412732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).