ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate

C14H28N2O3 — CID 62026762

IUPACethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCCNC(=O)C(C)N(CCC)CC(=O)OCC
InChIInChI=1S/C14H28N2O3/c1-5-8-9-15-14(18)12(4)16(10-6-2)11-13(17)19-7-3/h12H,5-11H2,1-4H3,(H,15,18)
InChIKeyUWHQXGOQGPFNDH-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.57
Rot. Bonds10

About ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate

ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate (PubChem CID 62026762) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
PubChem CID62026762
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCCNC(=O)C(C)N(CCC)CC(=O)OCC
InChIInChI=1S/C14H28N2O3/c1-5-8-9-15-14(18)12(4)16(10-6-2)11-13(17)19-7-3/h12H,5-11H2,1-4H3,(H,15,18)
InChIKeyUWHQXGOQGPFNDH-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.57
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-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
CID 62027223
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
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
2-[(1-hydrazinyl-1-oxopropan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63578798
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate (CID 62026762) is ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate is CCCCNC(=O)C(C)N(CCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The InChIKey is UWHQXGOQGPFNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-8-9-15-14(18)12(4)16(10-6-2)11-13(17)19-7-3/h12H,5-11H2,1-4H3,(H,15,18).
What are the key properties of ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate?
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate has a molecular weight of 272.39 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate is sourced from PubChem (CID 62026762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).