methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate

C13H26N2O3 — CID 79406836

IUPACmethyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
SMILESCCN(CC)C(=O)CN(C)C(C)C(C)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-7-15(8-2)12(16)9-14(5)11(4)10(3)13(17)18-6/h10-11H,7-9H2,1-6H3
InChIKeyRBJAYDXKXZURCS-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.98
Rot. Bonds7

About methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate

methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate (PubChem CID 79406836) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
PubChem CID79406836
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
SMILESCCN(CC)C(=O)CN(C)C(C)C(C)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-7-15(8-2)12(16)9-14(5)11(4)10(3)13(17)18-6/h10-11H,7-9H2,1-6H3
InChIKeyRBJAYDXKXZURCS-UHFFFAOYSA-N
XLogP0.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
CID 61453369
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate
CID 79407101
methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate
CID 79407897
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
CID 79406690
methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
CID 79407611
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate (CID 79406836) is methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate is CCN(CC)C(=O)CN(C)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate?
The InChIKey is RBJAYDXKXZURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-15(8-2)12(16)9-14(5)11(4)10(3)13(17)18-6/h10-11H,7-9H2,1-6H3.
What are the key properties of methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate?
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate has a molecular weight of 258.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate is sourced from PubChem (CID 79406836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).