ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate

C12H24N2O3 — CID 60965392

IUPACethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
SMILESCCCNC(=O)CN(CCC)CC(=O)OCC
InChIInChI=1S/C12H24N2O3/c1-4-7-13-11(15)9-14(8-5-2)10-12(16)17-6-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyFDLZVSMMJGSGGZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.79
Rot. Bonds9

About ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate

ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate (PubChem CID 60965392) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
PubChem CID60965392
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
SMILESCCCNC(=O)CN(CCC)CC(=O)OCC
InChIInChI=1S/C12H24N2O3/c1-4-7-13-11(15)9-14(8-5-2)10-12(16)17-6-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyFDLZVSMMJGSGGZ-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111
ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
CID 113247689
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-ethylacetamide
CID 168986634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate (CID 60965392) is ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate is CCCNC(=O)CN(CCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate?
The InChIKey is FDLZVSMMJGSGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-7-13-11(15)9-14(8-5-2)10-12(16)17-6-3/h4-10H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate?
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate is sourced from PubChem (CID 60965392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).