ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate

C14H26N2O4 — CID 103484403

IUPACethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
SMILESCCCN(CC(=O)CCC(=O)OCC)CC(=O)N(C)C
InChIInChI=1S/C14H26N2O4/c1-5-9-16(11-13(18)15(3)4)10-12(17)7-8-14(19)20-6-2/h5-11H2,1-4H3
InChIKeyKPLBRAAUACOBSP-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.70
Rot. Bonds10

About ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate

ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate (PubChem CID 103484403) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
PubChem CID103484403
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
SMILESCCCN(CC(=O)CCC(=O)OCC)CC(=O)N(C)C
InChIInChI=1S/C14H26N2O4/c1-5-9-16(11-13(18)15(3)4)10-12(17)7-8-14(19)20-6-2/h5-11H2,1-4H3
InChIKeyKPLBRAAUACOBSP-UHFFFAOYSA-N
XLogP0.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
CID 62031688
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
1-(dipropylamino)pentan-2-one
CID 62041814
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
2-[2,2-dimethoxyethyl(propyl)amino]-N,N-dimethylacetamide
CID 66221703
ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
CID 103484141
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
CID 113247689
ethyl (1,2-13C2)butanoate
CID 157463359

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate?
The IUPAC name of ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate (CID 103484403) is ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate is CCCN(CC(=O)CCC(=O)OCC)CC(=O)N(C)C.
What is the InChIKey of ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate?
The InChIKey is KPLBRAAUACOBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-9-16(11-13(18)15(3)4)10-12(17)7-8-14(19)20-6-2/h5-11H2,1-4H3.
What are the key properties of ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate?
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate has a molecular weight of 286.37 g/mol, XLogP of 0.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate is sourced from PubChem (CID 103484403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).