tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate

C26H37N3O2 — CID 102330994

IUPACtert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate
SMILESCC[C@H](CC1N(C)[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H37N3O2/c1-7-21(27-25(30)31-26(2,3)4)18-22-28(5)23(19-14-10-8-11-15-19)24(29(22)6)20-16-12-9-13-17-20/h8-17,21-24H,7,18H2,1-6H3,(H,27,30)/t21-,23+,24+/m1/s1
InChIKeyDYQAZVIJXKUXQC-NHTMILBNSA-N
MW423.60 g/mol
LogP5.37
Rot. Bonds6

About tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate (PubChem CID 102330994) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate
PubChem CID102330994
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Nametert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate
SMILESCC[C@H](CC1N(C)[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H37N3O2/c1-7-21(27-25(30)31-26(2,3)4)18-22-28(5)23(19-14-10-8-11-15-19)24(29(22)6)20-16-12-9-13-17-20/h8-17,21-24H,7,18H2,1-6H3,(H,27,30)/t21-,23+,24+/m1/s1
InChIKeyDYQAZVIJXKUXQC-NHTMILBNSA-N
XLogP5.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(1-hydroxybutan-2-yl)carbamate
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tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
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tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
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tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
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tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
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tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate (CID 102330994) is tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate is CC[C@H](CC1N(C)[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate?
The InChIKey is DYQAZVIJXKUXQC-NHTMILBNSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-7-21(27-25(30)31-26(2,3)4)18-22-28(5)23(19-14-10-8-11-15-19)24(29(22)6)20-16-12-9-13-17-20/h8-17,21-24H,7,18H2,1-6H3,(H,27,30)/t21-,23+,24+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate has a molecular weight of 423.60 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate is sourced from PubChem (CID 102330994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).