[4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C27H36N2O5 — CID 15936548

IUPAC[4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C(CCN(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C27H36N2O5/c1-26(2)20-33-27(3,4)29(26)25(31)34-23(24(30)32-5)16-17-28(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3
InChIKeyYZLKQXHVNOAMPM-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.60
Rot. Bonds9

About [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15936548) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID15936548
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name[4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C(CCN(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C27H36N2O5/c1-26(2)20-33-27(3,4)29(26)25(31)34-23(24(30)32-5)16-17-28(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3
InChIKeyYZLKQXHVNOAMPM-UHFFFAOYSA-N
XLogP4.60
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 15936548) is [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is COC(=O)C(CCN(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YZLKQXHVNOAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-26(2)20-33-27(3,4)29(26)25(31)34-23(24(30)32-5)16-17-28(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3.
What are the key properties of [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 468.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15936548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).