ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

C16H20N2O5 — CID 101139378

IUPACethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCOC1=O)N(C)c1ccccc1
InChIInChI=1S/C16H20N2O5/c1-3-22-15(20)13(17(2)12-7-5-4-6-8-12)11-14(19)18-9-10-23-16(18)21/h4-8,13H,3,9-11H2,1-2H3
InChIKeyGUOKLXFIGHLIMQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.42
Rot. Bonds6

About ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 101139378) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID101139378
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCOC1=O)N(C)c1ccccc1
InChIInChI=1S/C16H20N2O5/c1-3-22-15(20)13(17(2)12-7-5-4-6-8-12)11-14(19)18-9-10-23-16(18)21/h4-8,13H,3,9-11H2,1-2H3
InChIKeyGUOKLXFIGHLIMQ-UHFFFAOYSA-N
XLogP1.42
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 102477685
3-[(3S)-3-(4-chloro-N-methylanilino)butanoyl]-1,3-oxazolidin-2-one
CID 131853013
ethyl (2S,3S)-3-methyl-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473921
ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 72671271
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
ethyl (2S,3S)-3-(cyclopentylmethyl)-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473939
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
diethyl 2-(N-hydroxyanilino)butanedioate
CID 11000477
diethyl (2S)-2-(N-hydroxyanilino)butanedioate
CID 15287767
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 102477687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 101139378) is ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is CCOC(=O)C(CC(=O)N1CCOC1=O)N(C)c1ccccc1.
What is the InChIKey of ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is GUOKLXFIGHLIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-22-15(20)13(17(2)12-7-5-4-6-8-12)11-14(19)18-9-10-23-16(18)21/h4-8,13H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 320.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 101139378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).