ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate

C12H23N3O4 — CID 60968980

IUPACethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C12H23N3O4/c1-5-15(6-2)10(16)9-14(4)12(18)13-8-11(17)19-7-3/h5-9H2,1-4H3,(H,13,18)
InChIKeyAALYVAFMUYILSN-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.06
Rot. Bonds7

About ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate

ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate (PubChem CID 60968980) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
PubChem CID60968980
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nameethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C12H23N3O4/c1-5-15(6-2)10(16)9-14(4)12(18)13-8-11(17)19-7-3/h5-9H2,1-4H3,(H,13,18)
InChIKeyAALYVAFMUYILSN-UHFFFAOYSA-N
XLogP0.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
ethyl 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]acetate
CID 55226927
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
CID 63960119
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate (CID 60968980) is ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)CC(=O)N(CC)CC.
What is the InChIKey of ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate?
The InChIKey is AALYVAFMUYILSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-5-15(6-2)10(16)9-14(4)12(18)13-8-11(17)19-7-3/h5-9H2,1-4H3,(H,13,18).
What are the key properties of ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate?
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate has a molecular weight of 273.33 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate is sourced from PubChem (CID 60968980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).