3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C25H31N3O4 — CID 42841031

IUPAC3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C25H31N3O4/c1-5-27(6-2)24(30)21-22(19-13-10-14-20(15-19)26-23(29)17(3)4)32-25(31)28(21)16-18-11-8-7-9-12-18/h7-15,17,21-22H,5-6,16H2,1-4H3,(H,26,29)
InChIKeyGNLDFBPRAYSUKG-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.21
Rot. Bonds8

About 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841031) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID42841031
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C25H31N3O4/c1-5-27(6-2)24(30)21-22(19-13-10-14-20(15-19)26-23(29)17(3)4)32-25(31)28(21)16-18-11-8-7-9-12-18/h7-15,17,21-22H,5-6,16H2,1-4H3,(H,26,29)
InChIKeyGNLDFBPRAYSUKG-UHFFFAOYSA-N
XLogP4.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841031) is 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCN(CC)C(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is GNLDFBPRAYSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-27(6-2)24(30)21-22(19-13-10-14-20(15-19)26-23(29)17(3)4)32-25(31)28(21)16-18-11-8-7-9-12-18/h7-15,17,21-22H,5-6,16H2,1-4H3,(H,26,29).
What are the key properties of 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).