tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate

C20H32N2O3 — CID 110315248

IUPACtert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate
SMILESC[C@@H](CN(C)C(=O)c1ccc(C(C)(C)C)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-14(21-18(24)25-20(5,6)7)13-22(8)17(23)15-9-11-16(12-10-15)19(2,3)4/h9-12,14H,13H2,1-8H3,(H,21,24)/t14-/m0/s1
InChIKeyUEDYDYYSNJEKKK-AWEZNQCLSA-N
MW348.49 g/mol
LogP3.97
Rot. Bonds4

About tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate (PubChem CID 110315248) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate
PubChem CID110315248
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate
SMILESC[C@@H](CN(C)C(=O)c1ccc(C(C)(C)C)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-14(21-18(24)25-20(5,6)7)13-22(8)17(23)15-9-11-16(12-10-15)19(2,3)4/h9-12,14H,13H2,1-8H3,(H,21,24)/t14-/m0/s1
InChIKeyUEDYDYYSNJEKKK-AWEZNQCLSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[[3-(dimethylsulfamoyl)benzoyl]-methylamino]propan-2-yl]carbamate
CID 110633583
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-[(2S)-1-[(3-chlorophenyl)carbamoyl-methylamino]propan-2-yl]carbamate
CID 110315268
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859
N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
CID 19933575
tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
CID 110315307
tert-butyl N-[(2S)-1-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propan-2-yl]carbamate
CID 110315270
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
CID 110315317
tert-butyl N-[(2S)-1-[methyl-[(4-methylphenyl)methylsulfonyl]amino]propan-2-yl]carbamate
CID 110315342
tert-butyl N-[1-[benzyl-(2-chloroacetyl)amino]propan-2-yl]carbamate
CID 175047776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate (CID 110315248) is tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate is C[C@@H](CN(C)C(=O)c1ccc(C(C)(C)C)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate?
The InChIKey is UEDYDYYSNJEKKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(21-18(24)25-20(5,6)7)13-22(8)17(23)15-9-11-16(12-10-15)19(2,3)4/h9-12,14H,13H2,1-8H3,(H,21,24)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 110315248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).