methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate

C19H28N2O3 — CID 135055438

IUPACmethyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-17(2,3)20-13-19(15(22)24-7,14-11-9-8-10-12-14)21(16(20)23)18(4,5)6/h8-12H,13H2,1-7H3
InChIKeyWDCRVRDJIOKYOV-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.39
Rot. Bonds2

About methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate

methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate (PubChem CID 135055438) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate
PubChem CID135055438
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-17(2,3)20-13-19(15(22)24-7,14-11-9-8-10-12-14)21(16(20)23)18(4,5)6/h8-12H,13H2,1-7H3
InChIKeyWDCRVRDJIOKYOV-UHFFFAOYSA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate?
The IUPAC name of methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate (CID 135055438) is methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate?
The canonical SMILES for methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate is COC(=O)C1(c2ccccc2)CN(C(C)(C)C)C(=O)N1C(C)(C)C.
What is the InChIKey of methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate?
The InChIKey is WDCRVRDJIOKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-17(2,3)20-13-19(15(22)24-7,14-11-9-8-10-12-14)21(16(20)23)18(4,5)6/h8-12H,13H2,1-7H3.
What are the key properties of methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate?
methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-ditert-butyl-2-oxo-4-phenylimidazolidine-4-carboxylate is sourced from PubChem (CID 135055438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).