tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate

C18H24N2O3 — CID 42603539

IUPACtert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate
SMILESC=C(c1ccccc1)[C@H]1N(C)C(=O)[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O3/c1-12(14-10-8-7-9-11-14)15-19(6)16(21)13(2)20(15)17(22)23-18(3,4)5/h7-11,13,15H,1H2,2-6H3/t13-,15-/m0/s1
InChIKeyZVUCNSOXYIWPTD-ZFWWWQNUSA-N
MW316.40 g/mol
LogP3.12
Rot. Bonds2

About tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate

tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate (PubChem CID 42603539) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate
PubChem CID42603539
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate
SMILESC=C(c1ccccc1)[C@H]1N(C)C(=O)[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O3/c1-12(14-10-8-7-9-11-14)15-19(6)16(21)13(2)20(15)17(22)23-18(3,4)5/h7-11,13,15H,1H2,2-6H3/t13-,15-/m0/s1
InChIKeyZVUCNSOXYIWPTD-ZFWWWQNUSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
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tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 71188473
tert-butyl 3-(4-methylphenyl)sulfonyl-2-(1-phenylethenyl)-2H-benzimidazole-1-carboxylate
CID 132851200
CID 162139404
CID 162139404
tert-butyl (1S,5R)-3-benzoyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 51039789
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methylaziridine-1-carboxylate
CID 11515617
(1S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 174981091
tert-butyl (1R,2R,4S,5S)-3-oxo-2,4-diphenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 10785704
tert-butyl 3-(1-phenylethylidene)azetidine-1-carboxylate
CID 156785803
tert-butyl 2-benzoylpyrrole-1-carboxylate
CID 12679450

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate (CID 42603539) is tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate is C=C(c1ccccc1)[C@H]1N(C)C(=O)[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate?
The InChIKey is ZVUCNSOXYIWPTD-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(14-10-8-7-9-11-14)15-19(6)16(21)13(2)20(15)17(22)23-18(3,4)5/h7-11,13,15H,1H2,2-6H3/t13-,15-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate?
tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-3,5-dimethyl-4-oxo-2-(1-phenylethenyl)imidazolidine-1-carboxylate is sourced from PubChem (CID 42603539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).