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

C23H26N2O5 — CID 102477685

IUPACethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCOC1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26N2O5/c1-2-29-22(27)20(15-21(26)25-13-14-30-23(25)28)24(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyOIUQVCKYOUSKPV-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.99
Rot. Bonds9

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

ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 102477685) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID102477685
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Nameethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCOC1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26N2O5/c1-2-29-22(27)20(15-21(26)25-13-14-30-23(25)28)24(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyOIUQVCKYOUSKPV-UHFFFAOYSA-N
XLogP2.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 101139378
ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 102477687
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
ethyl 2-(dibenzylamino)-5,5-dimethyl-4-oxohexanoate
CID 102383366
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
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)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
CID 101463161
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 102477685) is ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is CCOC(=O)C(CC(=O)N1CCOC1=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is OIUQVCKYOUSKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-29-22(27)20(15-21(26)25-13-14-30-23(25)28)24(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3.
What are the key properties of ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 410.47 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 102477685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).