ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate

C16H21N3O4 — CID 47082283

IUPACethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCNC1=O)Cc1ccccc1
InChIInChI=1S/C16H21N3O4/c1-2-23-15(21)12-18(10-13-6-4-3-5-7-13)11-14(20)19-9-8-17-16(19)22/h3-7H,2,8-12H2,1H3,(H,17,22)
InChIKeyMQAHFUKCAZTSAC-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.60
Rot. Bonds7

About ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate

ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate (PubChem CID 47082283) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
PubChem CID47082283
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nameethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCNC1=O)Cc1ccccc1
InChIInChI=1S/C16H21N3O4/c1-2-23-15(21)12-18(10-13-6-4-3-5-7-13)11-14(20)19-9-8-17-16(19)22/h3-7H,2,8-12H2,1H3,(H,17,22)
InChIKeyMQAHFUKCAZTSAC-UHFFFAOYSA-N
XLogP0.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
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[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
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ethyl 2-[benzyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]acetate
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[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
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ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
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1-[2-[benzyl(1-pyridin-2-ylethyl)amino]acetyl]imidazolidin-2-one
CID 84597256

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate (CID 47082283) is ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate is CCOC(=O)CN(CC(=O)N1CCNC1=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
The InChIKey is MQAHFUKCAZTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-2-23-15(21)12-18(10-13-6-4-3-5-7-13)11-14(20)19-9-8-17-16(19)22/h3-7H,2,8-12H2,1H3,(H,17,22).
What are the key properties of ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate has a molecular weight of 319.36 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate is sourced from PubChem (CID 47082283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).