ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate

C13H26N2O3 — CID 60707003

IUPACethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C13H26N2O3/c1-6-18-12(17)8-7-11(16)14-9-13(2,3)10-15(4)5/h6-10H2,1-5H3,(H,14,16)
InChIKeyGSJLJPSIGOOPRI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.03
Rot. Bonds8

About ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate

ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate (PubChem CID 60707003) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate
PubChem CID60707003
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C13H26N2O3/c1-6-18-12(17)8-7-11(16)14-9-13(2,3)10-15(4)5/h6-10H2,1-5H3,(H,14,16)
InChIKeyGSJLJPSIGOOPRI-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-4-oxobutanoate
CID 103839873
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
CID 104624160
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpropanamide;dihydrochloride
CID 119828440
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
CID 46995000
3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 80700809

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate (CID 60707003) is ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate?
The InChIKey is GSJLJPSIGOOPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-18-12(17)8-7-11(16)14-9-13(2,3)10-15(4)5/h6-10H2,1-5H3,(H,14,16).
What are the key properties of ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate?
ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate has a molecular weight of 258.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate is sourced from PubChem (CID 60707003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).