ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate

C16H24N2O3 — CID 78978637

IUPACethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N(C)CC)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-17(3)15(19)12-18(13-16(20)21-5-2)11-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyIENHBWXWSVVWAI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds8

About ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate

ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate (PubChem CID 78978637) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
PubChem CID78978637
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N(C)CC)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-17(3)15(19)12-18(13-16(20)21-5-2)11-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyIENHBWXWSVVWAI-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
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ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
CID 175214762
ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
CID 174861955
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate (CID 78978637) is ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC(=O)N(C)CC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is IENHBWXWSVVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17(3)15(19)12-18(13-16(20)21-5-2)11-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate?
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 78978637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).