3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C25H34N2O3 — CID 11058677

IUPAC3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H34N2O3/c1-24(2)20-30-25(3,4)27(24)23(28)29-17-11-16-26(18-21-12-7-5-8-13-21)19-22-14-9-6-10-15-22/h5-10,12-15H,11,16-20H2,1-4H3
InChIKeyFPVBDHXCFUAVRA-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.06
Rot. Bonds8

About 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11058677) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11058677
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H34N2O3/c1-24(2)20-30-25(3,4)27(24)23(28)29-17-11-16-26(18-21-12-7-5-8-13-21)19-22-14-9-6-10-15-22/h5-10,12-15H,11,16-20H2,1-4H3
InChIKeyFPVBDHXCFUAVRA-UHFFFAOYSA-N
XLogP5.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 11058677) is 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OCCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FPVBDHXCFUAVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-24(2)20-30-25(3,4)27(24)23(28)29-17-11-16-26(18-21-12-7-5-8-13-21)19-22-14-9-6-10-15-22/h5-10,12-15H,11,16-20H2,1-4H3.
What are the key properties of 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 410.56 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11058677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).