ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate

C15H30N2O3 — CID 62026570

IUPACethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
SMILESCCCCCNC(=O)C(C)N(CCC)CC(=O)OCC
InChIInChI=1S/C15H30N2O3/c1-5-8-9-10-16-15(19)13(4)17(11-6-2)12-14(18)20-7-3/h13H,5-12H2,1-4H3,(H,16,19)
InChIKeyONRHQWCGETVMJV-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.96
Rot. Bonds11

About ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate

ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate (PubChem CID 62026570) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
PubChem CID62026570
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
SMILESCCCCCNC(=O)C(C)N(CCC)CC(=O)OCC
InChIInChI=1S/C15H30N2O3/c1-5-8-9-10-16-15(19)13(4)17(11-6-2)12-14(18)20-7-3/h13H,5-12H2,1-4H3,(H,16,19)
InChIKeyONRHQWCGETVMJV-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.96
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

ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
CID 62027223
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
CID 62899515
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
2-[(1-hydrazinyl-1-oxopropan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63578798
ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
CID 61022176
ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
CID 61006881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate (CID 62026570) is ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate is CCCCCNC(=O)C(C)N(CCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate?
The InChIKey is ONRHQWCGETVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-9-10-16-15(19)13(4)17(11-6-2)12-14(18)20-7-3/h13H,5-12H2,1-4H3,(H,16,19).
What are the key properties of ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate?
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate has a molecular weight of 286.42 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate is sourced from PubChem (CID 62026570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).